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# This is the 1.7 version of GAFF (from AmberTools15), downloaded 2015-8-17.
# NOTE: Corrections were made to the amberparm2lt.sh converter on 2014-5-19, so
# this version of gaff.lt differs from earlier versions using the same source
####################################################################
# To use this, LAMMPS currently must be compiled with the USER-MISC package.
# (Type "make yes-user-misc" into the shell before compiling LAMMPS.)
####################################################################
# This moltemplate (LT) file was generated automatically using
# amber/amberparm2lt.sh gaff.dat GAFF > gaff.lt
####################################################################
# Background information and usage explanation:
# This file contanis a list of atom types and rules for generating bonded
# interactions between these atoms (hopefully) according to AMBER conventions.
# By using the atom types shown below in your own molecules, bonds and angular
# interactions will be automatically generated.
# AMBER (GAFF) force-field parameters will also be assigned to each angle
# interaction (according to these atom types).
# One way to apply the GAFF force field to a particular type of molecule, is
# to use the "inherits" keyword when you define that molecule. For example:
#
# import("gaff.lt")
# MoleculeType inherits GAFF {
# write_once("Data Atoms") {
# $atom:C1 $mol:... @atom:cx 0.0 4.183 3.194 13.285
# $atom:C2 $mol:... @atom:cx 0.0 4.291 4.618 13.382
# : : :
# }
# }
#
#(See "Inheritance" and "short names vs. full names" in the moltemplate manual.)
####################################################################
# Moltemplate can not assign atom charge. You must assign atomic
# charges yourself. (Moltemplate is only a simple text manipulation tool.)
####################################################################
GAFF {
# ----------------------------------------------------------------------
# The basic atom nomenclature and conventions are explained here:
# http://ambermd.org/antechamber/gaff.pdf
# For reference, the original gaff.dat file and format documentation are here:
# http://ambermd.org/AmberTools-get.html
# http://ambermd.org/formats.html#parm.dat
# ----------------------------------------------------------------------
write_once("Data Masses") {
@atom:c 12.01 # Sp2 C carbonyl group
@atom:c1 12.01 # Sp C
@atom:c2 12.01 # Sp2 C
@atom:c3 12.01 # Sp3 C
@atom:ca 12.01 # Sp2 C in pure aromatic systems
@atom:cp 12.01 # Head Sp2 C that connect two rings in biphenyl sys.
@atom:cq 12.01 # Head Sp2 C that connect two rings in biphenyl sys. identical to cp
@atom:cc 12.01 # Sp2 carbons in non-pure aromatic systems
@atom:cd 12.01 # Sp2 carbons in non-pure aromatic systems, identical to cc
@atom:ce 12.01 # Inner Sp2 carbons in conjugated systems
@atom:cf 12.01 # Inner Sp2 carbons in conjugated systems, identical to ce
@atom:cg 12.01 # Inner Sp carbons in conjugated systems
@atom:ch 12.01 # Inner Sp carbons in conjugated systems, identical to cg
@atom:cx 12.01 # Sp3 carbons in triangle systems
@atom:cy 12.01 # Sp3 carbons in square systems
@atom:cu 12.01 # Sp2 carbons in triangle systems
@atom:cv 12.01 # Sp2 carbons in square systems
@atom:cz 12.01 # Sp2 carbon in guanidine group
@atom:h1 1.008 # H bonded to aliphatic carbon with 1 electrwd. group
@atom:h2 1.008 # H bonded to aliphatic carbon with 2 electrwd. group
@atom:h3 1.008 # H bonded to aliphatic carbon with 3 electrwd. group
@atom:h4 1.008 # H bonded to non-sp3 carbon with 1 electrwd. group
@atom:h5 1.008 # H bonded to non-sp3 carbon with 2 electrwd. group
@atom:ha 1.008 # H bonded to aromatic carbon
@atom:hc 1.008 # H bonded to aliphatic carbon without electrwd. group
@atom:hn 1.008 # H bonded to nitrogen atoms
@atom:ho 1.008 # Hydroxyl group
@atom:hp 1.008 # H bonded to phosphate
@atom:hs 1.008 # Hydrogen bonded to sulphur
@atom:hw 1.008 # Hydrogen in water
@atom:hx 1.008 # H bonded to C next to positively charged group
@atom:f 19.00 # Fluorine
@atom:cl 35.45 # Chlorine
@atom:br 79.90 # Bromine
@atom:i 126.9 # Iodine
@atom:n 14.01 # Sp2 nitrogen in amide groups
@atom:n1 14.01 # Sp N
@atom:n2 14.01 # aliphatic Sp2 N with two connected atoms
@atom:n3 14.01 # Sp3 N with three connected atoms
@atom:n4 14.01 # Sp3 N with four connected atoms
@atom:na 14.01 # Sp2 N with three connected atoms
@atom:nb 14.01 # Sp2 N in pure aromatic systems
@atom:nc 14.01 # Sp2 N in non-pure aromatic systems
@atom:nd 14.01 # Sp2 N in non-pure aromatic systems, identical to nc
@atom:ne 14.01 # Inner Sp2 N in conjugated systems
@atom:nf 14.01 # Inner Sp2 N in conjugated systems, identical to ne
@atom:nh 14.01 # Amine N connected one or more aromatic rings
@atom:no 14.01 # Nitro N
@atom:o 16.00 # Oxygen with one connected atom
@atom:oh 16.00 # Oxygen in hydroxyl group
@atom:os 16.00 # Ether and ester oxygen
@atom:ow 16.00 # Oxygen in water
@atom:p2 30.97 # Phosphate with two connected atoms
@atom:p3 30.97 # Phosphate with three connected atoms, such as PH3
@atom:p4 30.97 # Phosphate with three connected atoms, such as O=P(CH3)2
@atom:p5 30.97 # Phosphate with four connected atoms, such as O=P(OH)3
@atom:pb 30.97 # Sp2 P in pure aromatic systems
@atom:pc 30.97 # Sp2 P in non-pure aromatic systems
@atom:pd 30.97 # Sp2 P in non-pure aromatic systems, identical to pc
@atom:pe 30.97 # Inner Sp2 P in conjugated systems
@atom:pf 30.97 # Inner Sp2 P in conjugated systems, identical to pe
@atom:px 30.97 # Special p4 in conjugated systems
@atom:py 30.97 # Special p5 in conjugated systems
@atom:s 32.06 # S with one connected atom
@atom:s2 32.06 # S with two connected atom, involved at least one double bond
@atom:s4 32.06 # S with three connected atoms
@atom:s6 32.06 # S with four connected atoms
@atom:sh 32.06 # Sp3 S connected with hydrogen
@atom:ss 32.06 # Sp3 S in thio-ester and thio-ether
@atom:sx 32.06 # Special s4 in conjugated systems
@atom:sy 32.06 # Special s6 in conjugated systems
} # (end of masses)
write_once("In Settings") {
pair_coeff @atom:h1 @atom:h1 lj/charmm/coul/long 0.0157 2.47135304412 # Veenstra et al JCC,8,(1992),963
pair_coeff @atom:h2 @atom:h2 lj/charmm/coul/long 0.0157 2.29317330049 # Veenstra et al JCC,8,(1992),963
pair_coeff @atom:h3 @atom:h3 lj/charmm/coul/long 0.0157 2.11499355687 # Veenstra et al JCC,8,(1992),963
pair_coeff @atom:h4 @atom:h4 lj/charmm/coul/long 0.0150 2.51055258772 # Spellmeyer, one electrowithdr. neighbor
pair_coeff @atom:h5 @atom:h5 lj/charmm/coul/long 0.0150 2.42146271591 # Spellmeyer, two electrowithdr. neighbor
pair_coeff @atom:ha @atom:ha lj/charmm/coul/long 0.0150 2.59964245953 # Spellmeyer
pair_coeff @atom:hc @atom:hc lj/charmm/coul/long 0.0157 2.64953278775 # OPLS
pair_coeff @atom:hn @atom:hn lj/charmm/coul/long 0.0157 1.06907846177 # !Ferguson base pair geom.
pair_coeff @atom:ho @atom:ho lj/charmm/coul/long 0.0000 0.0 # OPLS Jorgensen, JACS,110,(1988),1657
pair_coeff @atom:hp @atom:hp lj/charmm/coul/long 0.0157 1.06907846177 # same to hs (be careful !)
pair_coeff @atom:hs @atom:hs lj/charmm/coul/long 0.0157 1.06907846177 # W. Cornell CH3SH --> CH3OH FEP
pair_coeff @atom:hw @atom:hw lj/charmm/coul/long 0.0000 0.0 # OPLS Jorgensen, JACS,110,(1988),1657
pair_coeff @atom:hx @atom:hx lj/charmm/coul/long 0.0157 1.95997717991 # Veenstra et al JCC,8,(1992),963
pair_coeff @atom:o @atom:o lj/charmm/coul/long 0.2100 2.95992190115 # OPLS
pair_coeff @atom:oh @atom:oh lj/charmm/coul/long 0.2104 3.06647338784 # OPLS
pair_coeff @atom:os @atom:os lj/charmm/coul/long 0.1700 3.00001234347 # OPLS ether
pair_coeff @atom:ow @atom:ow lj/charmm/coul/long 0.1520 3.15075240658 # TIP3P water model
pair_coeff @atom:c @atom:c lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:c1 @atom:c1 lj/charmm/coul/long 0.2100 3.39966950842 # cp C DLM 11/2007 well depth from OPLS replacing 0.0860
pair_coeff @atom:c2 @atom:c2 lj/charmm/coul/long 0.0860 3.39966950842 # sp2 atom in the middle of C=CD-CD=C
pair_coeff @atom:c3 @atom:c3 lj/charmm/coul/long 0.1094 3.39966950842 # OPLS
pair_coeff @atom:ca @atom:ca lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cc @atom:cc lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cd @atom:cd lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:ce @atom:ce lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cf @atom:cf lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cg @atom:cg lj/charmm/coul/long 0.2100 3.39966950842 # DLM 12/2007 as c1
pair_coeff @atom:ch @atom:ch lj/charmm/coul/long 0.2100 3.39966950842 # DLM 12/2007 as c1
pair_coeff @atom:cp @atom:cp lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cq @atom:cq lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cu @atom:cu lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cv @atom:cv lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cx @atom:cx lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cy @atom:cy lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:cz @atom:cz lj/charmm/coul/long 0.0860 3.39966950842 # OPLS
pair_coeff @atom:n @atom:n lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:n1 @atom:n1 lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:n2 @atom:n2 lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:n3 @atom:n3 lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:n4 @atom:n4 lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:na @atom:na lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:nb @atom:nb lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:nc @atom:nc lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:nd @atom:nd lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:ne @atom:ne lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:nf @atom:nf lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:nh @atom:nh lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:no @atom:no lj/charmm/coul/long 0.1700 3.24999852378 # OPLS
pair_coeff @atom:s @atom:s lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:s2 @atom:s2 lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:s4 @atom:s4 lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:s6 @atom:s6 lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:sx @atom:sx lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:sy @atom:sy lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:sh @atom:sh lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:ss @atom:ss lj/charmm/coul/long 0.2500 3.56359487256 # W. Cornell CH3SH and CH3SCH3 FEP's
pair_coeff @atom:p2 @atom:p2 lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:p3 @atom:p3 lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:p4 @atom:p4 lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:p5 @atom:p5 lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:pb @atom:pb lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:pc @atom:pc lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:pd @atom:pd lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:pe @atom:pe lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:pf @atom:pf lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:px @atom:px lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:py @atom:py lj/charmm/coul/long 0.2000 3.74177461619 # JCC,7,(1986),230;
pair_coeff @atom:f @atom:f lj/charmm/coul/long 0.061 3.11814551349 # Gough et al. JCC 13,(1992),963.
pair_coeff @atom:cl @atom:cl lj/charmm/coul/long 0.265 3.47094140587 # Fox, JPCB,102,8070,(98),flex.mdl CHCl3
pair_coeff @atom:br @atom:br lj/charmm/coul/long 0.420 3.59923082129 # Junmei, 2010
pair_coeff @atom:i @atom:i lj/charmm/coul/long 0.50 3.830864488 # Junmei, 2010
} # (end of pair_coeffs)
write_once("In Settings") {
bond_coeff @bond:ow-hw harmonic 553.0 0.9572 # TIP3P_Water 1
bond_coeff @bond:hw-hw harmonic 553.0 1.5136 # TIP3P_Water 1
bond_coeff @bond:br-br harmonic 123.2 2.5420 # SOURCE1 4 0.0000
bond_coeff @bond:br-c1 harmonic 352.7 1.7870 # SOURCE2 4 0.0024
bond_coeff @bond:br-c2 harmonic 278.7 1.8830 # SOURCE1 31 0.0000
bond_coeff @bond:br-c harmonic 240.3 1.9460 # SOURCE2 2 0.0285
bond_coeff @bond:br-c3 harmonic 229.5 1.9660 # SOURCE1 100 0.0000
bond_coeff @bond:br-ca harmonic 269.6 1.8970 # SOURCE1 127 0.0058
bond_coeff @bond:br-cc harmonic 277.6 1.8847 # SOURCE4 39 0.0068
bond_coeff @bond:br-cx harmonic 261.4 1.9100 # SOURCE1 8 0.0000
bond_coeff @bond:br-i harmonic 142.4 2.6710 # SOURCE1 2 0.0245
bond_coeff @bond:br-n1 harmonic 330.4 1.8600 # SOUECE3 1
bond_coeff @bond:br-n2 harmonic 219.0 2.0380 # SOURCE3 5 0.1082
bond_coeff @bond:br-n harmonic 320.2 1.8730 # SOURCE3 4 0.0046
bond_coeff @bond:br-n3 harmonic 265.9 1.9520 # SOURCE3 2 0.0000
bond_coeff @bond:br-n4 harmonic 282.4 1.9260 # SOURCE3 3 0.0013
bond_coeff @bond:br-na harmonic 237.3 2.0020 # SOURCE3 7 0.2156
bond_coeff @bond:br-nh harmonic 270.9 1.9440 # SOURCE3 1 0.0000
bond_coeff @bond:br-no harmonic 191.0 2.1010 # SOURCE3 1 0.0000
bond_coeff @bond:br-o harmonic 278.9 1.8000 # SOUECE3 1
bond_coeff @bond:br-oh harmonic 237.2 1.8660 # SOURCE3 1 0.0000
bond_coeff @bond:br-os harmonic 225.6 1.8870 # SOURCE3 2 0.0000
bond_coeff @bond:br-p2 harmonic 174.3 2.2100 # SOURCE3 9 0.0510
bond_coeff @bond:br-p3 harmonic 167.0 2.2310 # SOURCE3 3 0.0101
bond_coeff @bond:br-p4 harmonic 188.8 2.1710 # SOUECE3 1
bond_coeff @bond:br-p5 harmonic 179.3 2.1960 # SOURCE3 3 0.0099
bond_coeff @bond:br-s harmonic 170.6 2.2200 # SOUECE3 1
bond_coeff @bond:br-s4 harmonic 134.3 2.3410 # SOURCE3 1 0.0000
bond_coeff @bond:br-s6 harmonic 172.7 2.2140 # SOURCE3 3 0.0443
bond_coeff @bond:br-sh harmonic 174.4 2.2090 # SOURCE3 1 0.0000
bond_coeff @bond:br-ss harmonic 176.6 2.2030 # SOURCE3 3 0.0035
bond_coeff @bond:c1-c1 harmonic 986.2 1.1810 # SOURCE1 265 0.0031
bond_coeff @bond:c1-c2 harmonic 625.0 1.3070 # SOURCE1 18 0.0000
bond_coeff @bond:c1-c3 harmonic 368.3 1.4700 # SOURCE1 215 0.0017
bond_coeff @bond:c1-ca harmonic 404.1 1.4400 # SOUECE3 1
bond_coeff @bond:c1-ce harmonic 607.4 1.3153 # SOURCE4 6 0.0086
bond_coeff @bond:c1-cg harmonic 845.8 1.2220 # SOURCE3 22 0.0101
bond_coeff @bond:c1-ch harmonic 845.8 1.2220 # SOURCE3 22 same_as_c1-cg
bond_coeff @bond:c1-cl harmonic 419.7 1.6310 # SOURCE2 6 0.0050
bond_coeff @bond:c1-cx harmonic 399.1 1.4440 # SOURCE1 38 0.0000
bond_coeff @bond:c1-f harmonic 469.4 1.2700 # SOURCE2 2 0.0085
bond_coeff @bond:c1-ha harmonic 375.9 1.0660 # SOURCE3 63 0.0035
bond_coeff @bond:c1-hc harmonic 385.6 1.0600 # SOUECE3 1
bond_coeff @bond:c1-i harmonic 318.8 1.9890 # SOURCE2 4 0.0032
bond_coeff @bond:c1-n1 harmonic 1014.5 1.1380 # SOURCE1 170 0.0055
bond_coeff @bond:c1-n2 harmonic 769.8 1.2100 # SOURCE3 5 0.0115
bond_coeff @bond:c1-n3 harmonic 409.8 1.3920 # SOURCE2 1 0.0000
bond_coeff @bond:c1-n4 harmonic 378.2 1.4170 # SOURCE3 3 0.0032
bond_coeff @bond:c1-n harmonic 503.0 1.3300 # SOUECE3 1
bond_coeff @bond:c1-na harmonic 452.0 1.3620 # SOURCE3 8 0.0034
bond_coeff @bond:c1-ne harmonic 803.3 1.1986 # SOURCE4 10 0.0088
bond_coeff @bond:c1-nf harmonic 803.3 1.1986 # SOURCE4 10 same_as_c1-ne
bond_coeff @bond:c1-nh harmonic 485.0 1.3408 # SOURCE4 11 0.0037
bond_coeff @bond:c1-no harmonic 393.0 1.4050 # SOURCE3 3 0.0005
bond_coeff @bond:c1-o harmonic 777.0 1.1660 # SOURCE2 9 0.0052
bond_coeff @bond:c1-oh harmonic 435.6 1.3260 # SOURCE3 1 0.0000
bond_coeff @bond:c1-os harmonic 437.1 1.3250 # SOURCE3 3 0.0148
bond_coeff @bond:c1-p2 harmonic 289.3 1.7700 # SOUECE3 1
bond_coeff @bond:c1-p3 harmonic 275.1 1.7900 # SOUECE3 1
bond_coeff @bond:c1-p4 harmonic 275.1 1.7900 # SOUECE3 1
bond_coeff @bond:c1-p5 harmonic 302.2 1.7530 # SOURCE3 2 0.0000
bond_coeff @bond:c1-s2 harmonic 410.0 1.5950 # SOURCE3 1 0.0000
bond_coeff @bond:c1-s harmonic 371.8 1.6300 # SOURCE1 14 0.0000
bond_coeff @bond:c1-s4 harmonic 272.9 1.7460 # SOURCE3 2 0.0000
bond_coeff @bond:c1-s6 harmonic 290.4 1.7220 # SOURCE3 2 0.0000
bond_coeff @bond:c1-sh harmonic 324.5 1.6800 # SOUECE3 1
bond_coeff @bond:c1-ss harmonic 325.4 1.6790 # SOURCE1 10 0.0000
bond_coeff @bond:c2-c2 harmonic 589.7 1.3240 # SOURCE1 974 0.0096
bond_coeff @bond:c2-c3 harmonic 328.3 1.5080 # SOURCE1 2536 0.0021
bond_coeff @bond:c2-ca harmonic 357.2 1.4800 # SOUECE3 1
bond_coeff @bond:c2-cc harmonic 522.6 1.3600 # SOURCE1 771 0.0185
bond_coeff @bond:c2-cd harmonic 522.6 1.3600 # SOURCE1 771 0.0185
bond_coeff @bond:c2-ce harmonic 560.5 1.3390 # SOURCE3 62 0.0128
bond_coeff @bond:c2-cf harmonic 560.5 1.3390 # SOURCE3 62 same_as_c2-ce
bond_coeff @bond:c2-cl harmonic 328.8 1.7220 # SOURCE1 163 0.0098
bond_coeff @bond:c2-cu harmonic 573.9 1.3320 # SOURCE2 1 0.0000
bond_coeff @bond:c2-cx harmonic 353.3 1.4836 # SOURCE4 26 0.0064
bond_coeff @bond:c2-cy harmonic 331.7 1.5046 # SOURCE4 9 0.0053
bond_coeff @bond:c2-f harmonic 368.7 1.3400 # SOURCE1 34 0.0000
bond_coeff @bond:c2-h4 harmonic 348.6 1.0840 # SOURCE3 40 0.0058
bond_coeff @bond:c2-h5 harmonic 338.0 1.0915 # SOURCE4 42 0.0017
bond_coeff @bond:c2-ha harmonic 344.3 1.0870 # SOURCE3 797 0.0046
bond_coeff @bond:c2-hc harmonic 344.3 1.0870 # SOURCE3 789 0.0046
bond_coeff @bond:c2-hx harmonic 350.1 1.0830 # SOURCE3 3 0.0008
bond_coeff @bond:c2-i harmonic 223.2 2.1530 # SOURCE3 2 0.0000
bond_coeff @bond:c2-n1 harmonic 546.0 1.3060 # SOURCE3 4 0.0161
bond_coeff @bond:c2-n2 harmonic 581.1 1.2880 # SOURCE1 103 0.0100
bond_coeff @bond:c2-n3 harmonic 486.3 1.3400 # SOUECE3 1
bond_coeff @bond:c2-n harmonic 390.5 1.4070 # SOURCE3 9 0.0124
bond_coeff @bond:c2-n4 harmonic 309.1 1.4820 # SOURCE3 5 0.0064
bond_coeff @bond:c2-na harmonic 411.1 1.3910 # SOURCE3 31 0.0289
bond_coeff @bond:c2-nc harmonic 533.0 1.3130 # SOURCE1 99 0.0095
bond_coeff @bond:c2-nd harmonic 533.0 1.3130 # SOURCE1 99 same_as_c2-nc
bond_coeff @bond:c2-ne harmonic 597.7 1.2800 # SOURCE3 37 0.0110
bond_coeff @bond:c2-nf harmonic 597.7 1.2800 # SOURCE3 37 same_as_c2-ne
bond_coeff @bond:c2-nh harmonic 462.6 1.3550 # SOURCE3 38 0.0413
bond_coeff @bond:c2-no harmonic 345.6 1.4457 # SOURCE4 7 0.0087
bond_coeff @bond:c2-o harmonic 623.6 1.2244 # SOURCE4 15 0.0036
bond_coeff @bond:c2-oh harmonic 425.4 1.3330 # SOURCE1 53 0.0000
bond_coeff @bond:c2-os harmonic 392.6 1.3570 # SOURCE1 315 0.0097
bond_coeff @bond:c2-p2 harmonic 375.9 1.6700 # SOURCE3 62 0.0147
bond_coeff @bond:c2-p3 harmonic 246.6 1.8340 # SOURCE3 5 0.0042
bond_coeff @bond:c2-p4 harmonic 254.0 1.8220 # SOUECE3 1
bond_coeff @bond:c2-p5 harmonic 228.2 1.8658 # SOURCE4 5 0.0025
bond_coeff @bond:c2-pe harmonic 355.3 1.6910 # SOURCE3 52 0.0542
bond_coeff @bond:c2-pf harmonic 355.3 1.6910 # SOURCE3 52 same_as_c2-pe
bond_coeff @bond:c2-s2 harmonic 393.1 1.6100 # SOURCE2 1 0.0000
bond_coeff @bond:c2-s harmonic 281.5 1.7340 # SOURCE3 4 0.0034
bond_coeff @bond:c2-s4 harmonic 263.2 1.7600 # SOUECE3 1
bond_coeff @bond:c2-s6 harmonic 263.2 1.7600 # SOUECE3 1
bond_coeff @bond:c2-sh harmonic 252.0 1.7771 # SOURCE4 5 0.0037
bond_coeff @bond:c2-ss harmonic 280.0 1.7360 # SOURCE1 209 0.0155
bond_coeff @bond:c3-c3 harmonic 303.1 1.5350 # SOURCE1 14664 0.0048
bond_coeff @bond:c3-ca harmonic 323.5 1.5130 # SOURCE1 1813 0.0000
bond_coeff @bond:c3-cc harmonic 337.3 1.4990 # SOURCE3 50 0.0096
bond_coeff @bond:c3-cd harmonic 337.3 1.4990 # SOURCE3 50 0.0096
bond_coeff @bond:c3-ce harmonic 331.3 1.5050 # SOURCE3 9 0.0024
bond_coeff @bond:c3-cf harmonic 331.3 1.5050 # SOURCE3 9 same_as_c3-ce
bond_coeff @bond:c3-cl harmonic 279.0 1.7860 # SOURCE1 267 0.0194
bond_coeff @bond:c3-cu harmonic 359.4 1.4780 # SOURCE1 7 0.0000
bond_coeff @bond:c3-cv harmonic 347.6 1.4890 # SOURCE1 11 0.0000
bond_coeff @bond:c3-cx harmonic 322.5 1.5140 # SOURCE1 712 0.0045
bond_coeff @bond:c3-cy harmonic 308.5 1.5290 # SOURCE1 376 0.0000
bond_coeff @bond:c3-f harmonic 363.8 1.3440 # SOURCE1 617 0.0281
bond_coeff @bond:c3-h1 harmonic 335.9 1.0930 # SOURCE3 2175 0.0082
bond_coeff @bond:c3-h2 harmonic 326.4 1.1000 # SOURCE3 66 0.0280
bond_coeff @bond:c3-h3 harmonic 333.4 1.0948 # SOURCE4 25 0.0026
bond_coeff @bond:c3-hc harmonic 337.3 1.0920 # SOURCE3 2815 0.0059
bond_coeff @bond:c3-hx harmonic 338.7 1.0910 # SOURCE3 146 0.0066
bond_coeff @bond:c3-i harmonic 219.1 2.1620 # SOURCE1 15 0.0000
bond_coeff @bond:c3-n1 harmonic 325.1 1.4700 # SOURCE3 0
bond_coeff @bond:c3-n2 harmonic 313.8 1.4770 # SOURCE1 129 0.0138
bond_coeff @bond:c3-n harmonic 330.6 1.4600 # SOURCE1 187 0.0079
bond_coeff @bond:c3-n3 harmonic 320.6 1.4700 # SOURCE1 1678 0.0017
bond_coeff @bond:c3-n4 harmonic 293.6 1.4990 # SOURCE1 1370 0.0000
bond_coeff @bond:c3-na harmonic 334.7 1.4560 # SOURCE3 23 0.0119
bond_coeff @bond:c3-nc harmonic 334.7 1.4560 # SOURCE3 9 0.0109
bond_coeff @bond:c3-nd harmonic 334.7 1.4560 # SOURCE3 9 same_as_c3-nc
bond_coeff @bond:c3-nh harmonic 332.7 1.4580 # SOURCE3 27 0.0085
bond_coeff @bond:c3-no harmonic 265.4 1.5330 # SOURCE1 83 0.0212
bond_coeff @bond:c3-o harmonic 449.9 1.3165 # SOURCE4 8 0.0193
bond_coeff @bond:c3-oh harmonic 314.1 1.4260 # SOURCE1 914 0.0129
bond_coeff @bond:c3-os harmonic 301.5 1.4390 # SOURCE1 3123 0.0126
bond_coeff @bond:c3-p2 harmonic 234.3 1.8550 # SOURCE3 9 0.0125
bond_coeff @bond:c3-p3 harmonic 240.6 1.8440 # SOURCE3 109 0.0107
bond_coeff @bond:c3-p4 harmonic 247.2 1.8330 # SOURCE3 29 0.0138
bond_coeff @bond:c3-p5 harmonic 259.7 1.8130 # SOURCE1 84 0.0000
bond_coeff @bond:c3-px harmonic 252.7 1.8240 # SOURCE3 28 0.0098
bond_coeff @bond:c3-py harmonic 259.7 1.8130 # SOURCE3 13 0.0163
bond_coeff @bond:c3-s harmonic 212.9 1.8450 # SOURCE3 4 0.0185
bond_coeff @bond:c3-s4 harmonic 233.8 1.8070 # SOURCE1 139 0.0023
bond_coeff @bond:c3-s6 harmonic 254.0 1.7740 # SOURCE1 118 0.0103
bond_coeff @bond:c3-sh harmonic 225.3 1.8220 # SOURCE3 12 0.0051
bond_coeff @bond:c3-ss harmonic 225.8 1.8210 # SOURCE1 358 0.0075
bond_coeff @bond:c3-sx harmonic 232.6 1.8090 # SOURCE3 30 0.0067
bond_coeff @bond:c3-sy harmonic 248.9 1.7820 # SOURCE3 31 0.0039
bond_coeff @bond:ca-ca harmonic 478.4 1.3870 # SOURCE1 6228 0.0147
bond_coeff @bond:ca-cc harmonic 411.7 1.4340 # SOURCE1 80 0.0000
bond_coeff @bond:ca-cd harmonic 411.7 1.4340 # SOURCE1 80 0.0000
bond_coeff @bond:ca-ce harmonic 366.0 1.4720 # SOURCE1 71 0.0030
bond_coeff @bond:ca-cf harmonic 366.0 1.4720 # SOURCE1 71 0.0030
bond_coeff @bond:ca-cg harmonic 406.6 1.4380 # SOURCE1 71 0.0045
bond_coeff @bond:ca-ch harmonic 406.6 1.4380 # SOURCE1 71 0.0045
bond_coeff @bond:ca-cl harmonic 322.8 1.7290 # SOURCE1 704 0.0095
bond_coeff @bond:ca-cp harmonic 461.8 1.3980 # CORR 28
bond_coeff @bond:ca-cq harmonic 461.8 1.3980 # CORR 28
bond_coeff @bond:ca-cx harmonic 350.8 1.4860 # SOURCE1 98 0.0118
bond_coeff @bond:ca-cy harmonic 323.0 1.5135 # SOURCE4 8 0.0043
bond_coeff @bond:ca-f harmonic 363.8 1.3440 # SOURCE1 205 0.0089
bond_coeff @bond:ca-h4 harmonic 342.9 1.0880 # SOURCE3 57 0.0026
bond_coeff @bond:ca-h5 harmonic 347.2 1.0850 # SOURCE3 15 0.0048
bond_coeff @bond:ca-ha harmonic 344.3 1.0870 # SOURCE3 1496 0.0045
bond_coeff @bond:ca-i harmonic 252.4 2.0950 # SOURCE1 51 0.0000
bond_coeff @bond:ca-n1 harmonic 398.1 1.4000 # SOURCE3 0
bond_coeff @bond:ca-n2 harmonic 551.6 1.3030 # SOURCE4 7 0.0058
bond_coeff @bond:ca-n harmonic 372.3 1.4220 # SOURCE3 9 0.0098
bond_coeff @bond:ca-n4 harmonic 325.6 1.4650 # SOURCE1 23 0.0000
bond_coeff @bond:ca-na harmonic 470.3 1.3500 # SOURCE1 150 0.0103
bond_coeff @bond:ca-nb harmonic 483.1 1.3420 # SOURCE3 104 0.0076
bond_coeff @bond:ca-nc harmonic 492.9 1.3360 # SOURCE1 1826 0.0020
bond_coeff @bond:ca-nd harmonic 492.9 1.3360 # SOURCE1 1826 0.0020
bond_coeff @bond:ca-ne harmonic 361.8 1.4310 # SOURCE1 52 0.0000
bond_coeff @bond:ca-nf harmonic 361.8 1.4310 # SOURCE1 52 0.0000
bond_coeff @bond:ca-nh harmonic 449.0 1.3640 # SOURCE1 137 0.0085
bond_coeff @bond:ca-no harmonic 322.6 1.4680 # SOURCE1 556 0.0000
bond_coeff @bond:ca-o harmonic 610.0 1.2304 # SOURCE4 5 0.0026
bond_coeff @bond:ca-oh harmonic 386.1 1.3620 # SOURCE1 551 0.0000
bond_coeff @bond:ca-os harmonic 372.4 1.3730 # SOURCE1 1092 0.0071
bond_coeff @bond:ca-p2 harmonic 243.0 1.8400 # SOUECE3 1
bond_coeff @bond:ca-p3 harmonic 252.7 1.8240 # SOURCE1 145 0.0187
bond_coeff @bond:ca-p4 harmonic 264.3 1.8060 # SOUECE3 1
bond_coeff @bond:ca-p5 harmonic 271.6 1.7950 # SOURCE1 571 0.0028
bond_coeff @bond:ca-pe harmonic 249.6 1.8290 # SOURCE3 10 0.0042
bond_coeff @bond:ca-pf harmonic 249.6 1.8290 # SOURCE3 10 0.0042
bond_coeff @bond:ca-px harmonic 252.1 1.8250 # SOURCE3 5 0.0168
bond_coeff @bond:ca-py harmonic 268.3 1.7999 # SOURCE4 5 0.0072
bond_coeff @bond:ca-s harmonic 277.9 1.7390 # SOURCE3 2 0.0000
bond_coeff @bond:ca-s4 harmonic 245.2 1.7880 # SOURCE1 51 0.0048
bond_coeff @bond:ca-s6 harmonic 263.9 1.7590 # SOURCE1 229 0.0036
bond_coeff @bond:ca-sh harmonic 251.3 1.7783 # SOURCE4 12 0.0041
bond_coeff @bond:ca-ss harmonic 256.6 1.7700 # SOURCE1 297 0.0041
bond_coeff @bond:ca-sx harmonic 223.5 1.8252 # SOURCE4 24 0.0032
bond_coeff @bond:ca-sy harmonic 247.7 1.7840 # SOURCE3 13 0.0094
bond_coeff @bond:c-c1 harmonic 379.8 1.4600 # SOUECE3 1
bond_coeff @bond:c-c2 harmonic 449.9 1.4060 # SOURCE3 2 0.0370
bond_coeff @bond:c-c harmonic 290.1 1.5500 # SOURCE1 31 0.0100
bond_coeff @bond:c-c3 harmonic 328.3 1.5080 # SOURCE1 2949 0.0060
bond_coeff @bond:c-ca harmonic 349.7 1.4870 # SOURCE1 480 0.0055
bond_coeff @bond:c-cc harmonic 377.4 1.4620 # SOURCE3 132 0.0210
bond_coeff @bond:cc-cc harmonic 418.3 1.4290 # SOURCE1 740 0.0069
bond_coeff @bond:cc-cd harmonic 504.0 1.3710 # SOURCE3 523 0.0217
bond_coeff @bond:cc-ce harmonic 387.9 1.4532 # CORR 249
bond_coeff @bond:cc-cf harmonic 511.3 1.3666 # CORR 70
bond_coeff @bond:cc-cg harmonic 420.9 1.4270 # SOURCE1 560 0.0000
bond_coeff @bond:cc-ch harmonic 420.9 1.4270 # SOURCE1 560 0.0000
bond_coeff @bond:cc-cl harmonic 317.1 1.7359 # CORR 66
bond_coeff @bond:cc-cx harmonic 366.6 1.4715 # CORR 24
bond_coeff @bond:c-cd harmonic 377.4 1.4620 # SOURCE3 132 0.0210
bond_coeff @bond:c-ce harmonic 363.8 1.4740 # SOURCE1 601 0.0105
bond_coeff @bond:c-cf harmonic 363.8 1.4740 # SOURCE1 601 0.0105
bond_coeff @bond:cc-f harmonic 368.6 1.3401 # SOURCE4 24 0.0034
bond_coeff @bond:c-cg harmonic 389.3 1.4520 # SOURCE3 2 0.0000
bond_coeff @bond:c-ch harmonic 389.3 1.4520 # SOURCE3 2 same_as_c-cg
bond_coeff @bond:cc-h4 harmonic 350.1 1.0830 # SOURCE3 599 0.0037
bond_coeff @bond:cc-h5 harmonic 356.0 1.0790 # SOURCE3 40 0.0051
bond_coeff @bond:cc-ha harmonic 347.2 1.0850 # SOURCE3 740 0.0039
bond_coeff @bond:c-cl harmonic 293.5 1.7660 # SOURCE3 6 0.0250
bond_coeff @bond:cc-n2 harmonic 573.8 1.2917 # CORR 81
bond_coeff @bond:cc-n harmonic 426.0 1.3800 # SOURCE3 56 0.0109
bond_coeff @bond:cc-n4 harmonic 299.0 1.4930 # SOURCE4 7 0.0148
bond_coeff @bond:cc-na harmonic 438.8 1.3710 # SOURCE3 440 0.0144
bond_coeff @bond:cc-nc harmonic 431.6 1.3760 # SOURCE1 88 0.0000
bond_coeff @bond:cc-nd harmonic 494.6 1.3350 # SOURCE3 203 0.0239
bond_coeff @bond:cc-ne harmonic 427.4 1.3790 # SOURCE4 30 0.0126
bond_coeff @bond:cc-nf harmonic 565.4 1.2960 # CORR 23
bond_coeff @bond:cc-nh harmonic 449.0 1.3640 # SOURCE3 6 0.0040
bond_coeff @bond:cc-no harmonic 367.4 1.4262 # SOURCE4 133 0.0061
bond_coeff @bond:cc-oh harmonic 408.5 1.3451 # CORR 121
bond_coeff @bond:cc-os harmonic 376.1 1.3700 # SOURCE3 86 0.0192
bond_coeff @bond:cc-pd harmonic 318.2 1.7330 # SOURCE3 84 0.0161
bond_coeff @bond:cc-sh harmonic 257.9 1.7681 # SOURCE4 8 0.0027
bond_coeff @bond:cc-ss harmonic 279.3 1.7370 # SOURCE3 52 0.0194
bond_coeff @bond:cc-sx harmonic 231.3 1.8113 # SOURCE4 16 0.0050
bond_coeff @bond:cc-sy harmonic 248.1 1.7834 # CORR 55
bond_coeff @bond:c-cu harmonic 441.4 1.4120 # SOURCE2 1 0.0000
bond_coeff @bond:c-cx harmonic 350.8 1.4860 # SOURCE1 105 0.0000
bond_coeff @bond:c-cy harmonic 308.5 1.5290 # SOURCE1 18 0.0000
bond_coeff @bond:cd-cd harmonic 418.3 1.4290 # SOURCE1 740 0.0069
bond_coeff @bond:cd-ce harmonic 511.3 1.3666 # CORR 70
bond_coeff @bond:cd-cf harmonic 387.9 1.4532 # CORR 249
bond_coeff @bond:cd-cg harmonic 420.9 1.4270 # SOURCE1 560 0.0000
bond_coeff @bond:cd-ch harmonic 420.9 1.4270 # SOURCE1 560 0.0000
bond_coeff @bond:cd-cl harmonic 317.1 1.7359 # CORR 66
bond_coeff @bond:cd-cx harmonic 366.6 1.4715 # CORR 24
bond_coeff @bond:cd-cy harmonic 330.9 1.5054 # SOURCE4 10 0.0008
bond_coeff @bond:cd-h4 harmonic 350.1 1.0830 # SOURCE3 599 0.0037
bond_coeff @bond:cd-h5 harmonic 356.0 1.0790 # SOURCE3 40 0.0051
bond_coeff @bond:cd-ha harmonic 347.2 1.0850 # SOURCE3 740 0.0039
bond_coeff @bond:cd-n2 harmonic 573.8 1.2917 # CORR 81
bond_coeff @bond:cd-n harmonic 426.0 1.3800 # SOURCE3 56 0.0109
bond_coeff @bond:cd-na harmonic 438.8 1.3710 # SOURCE3 440 0.0144
bond_coeff @bond:cd-nc harmonic 494.6 1.3350 # SOURCE3 203 0.0239
bond_coeff @bond:cd-nd harmonic 431.6 1.3760 # SOURCE1 88 0.0000
bond_coeff @bond:cd-ne harmonic 565.4 1.2960 # CORR 23
bond_coeff @bond:cd-nh harmonic 449.0 1.3640 # SOURCE3 6 0.0040
bond_coeff @bond:cd-oh harmonic 408.5 1.3451 # CORR 121
bond_coeff @bond:cd-os harmonic 376.1 1.3700 # SOURCE3 86 0.0192
bond_coeff @bond:cd-pc harmonic 318.2 1.7330 # SOURCE3 84 same_as_cc-pd
bond_coeff @bond:cd-ss harmonic 279.3 1.7370 # SOURCE3 52 0.0194
bond_coeff @bond:cd-sy harmonic 248.1 1.7834 # CORR 55
bond_coeff @bond:ce-ce harmonic 390.5 1.4510 # SOURCE1 66 0.0060
bond_coeff @bond:ce-cf harmonic 562.4 1.3380 # SOURCE1 543 0.0045
bond_coeff @bond:ce-cg harmonic 415.6 1.4310 # SOURCE1 22 0.0000
bond_coeff @bond:ce-ch harmonic 415.6 1.4310 # SOURCE1 22 0.0000
bond_coeff @bond:ce-cl harmonic 292.6 1.7671 # SOURCE4 24 0.0062
bond_coeff @bond:ce-cx harmonic 337.0 1.4993 # SOURCE4 5 0.0066
bond_coeff @bond:ce-cy harmonic 323.0 1.5135 # SOURCE4 17 0.0024
bond_coeff @bond:ce-h4 harmonic 337.4 1.0919 # CORR 144
bond_coeff @bond:ce-ha harmonic 341.5 1.0890 # SOURCE3 55 0.0056
bond_coeff @bond:ce-n1 harmonic 536.1 1.3113 # CORR 13
bond_coeff @bond:ce-n2 harmonic 599.8 1.2790 # SOURCE1 75 0.0000
bond_coeff @bond:ce-n harmonic 368.9 1.4249 # CORR 136
bond_coeff @bond:ce-na harmonic 373.8 1.4207 # SOURCE4 5 0.0051
bond_coeff @bond:ce-ne harmonic 381.8 1.4140 # SOURCE3 7 0.0103
bond_coeff @bond:ce-nf harmonic 574.0 1.2916 # CORR 42
bond_coeff @bond:ce-nh harmonic 412.3 1.3901 # CORR 168
bond_coeff @bond:ce-oh harmonic 402.9 1.3493 # CORR 37
bond_coeff @bond:ce-os harmonic 372.8 1.3727 # CORR 45
bond_coeff @bond:ce-p2 harmonic 259.1 1.8140 # SOUECE3 1
bond_coeff @bond:ce-pe harmonic 256.5 1.8180 # SOURCE3 8 0.0108
bond_coeff @bond:ce-px harmonic 254.6 1.8210 # SOURCE3 6 0.0046
bond_coeff @bond:ce-py harmonic 272.3 1.7940 # SOURCE3 5 0.0045
bond_coeff @bond:ce-s harmonic 324.5 1.6800 # SOUECE3 1
bond_coeff @bond:ce-ss harmonic 243.6 1.7906 # SOURCE4 10 0.0064
bond_coeff @bond:ce-sx harmonic 239.7 1.7970 # SOURCE3 5 0.0082
bond_coeff @bond:ce-sy harmonic 248.9 1.7820 # SOURCE3 5 0.0114
bond_coeff @bond:c-f harmonic 387.9 1.3250 # SOURCE2 6 0.0147
bond_coeff @bond:cf-cf harmonic 390.5 1.4510 # SOURCE1 66 0.0060
bond_coeff @bond:cf-cg harmonic 415.6 1.4310 # SOURCE1 22 0.0000
bond_coeff @bond:cf-ch harmonic 415.6 1.4310 # SOURCE1 22 0.0000
bond_coeff @bond:cf-h4 harmonic 337.4 1.0919 # CORR 144
bond_coeff @bond:cf-ha harmonic 341.5 1.0890 # SOURCE3 55 0.0056
bond_coeff @bond:cf-n1 harmonic 536.1 1.3113 # CORR 13
bond_coeff @bond:cf-n2 harmonic 599.8 1.2790 # SOURCE1 75 same_as_ce-n2
bond_coeff @bond:cf-n harmonic 368.9 1.4249 # CORR 136
bond_coeff @bond:cf-ne harmonic 574.0 1.2916 # CORR 42
bond_coeff @bond:cf-nf harmonic 381.8 1.4140 # SOURCE3 7 same_as_ce-ne
bond_coeff @bond:cf-nh harmonic 412.3 1.3901 # CORR 168
bond_coeff @bond:cf-oh harmonic 402.9 1.3493 # CORR 37
bond_coeff @bond:cf-os harmonic 372.8 1.3727 # CORR 45
bond_coeff @bond:cf-p2 harmonic 259.1 1.8140 # SOUECE3 1 same_as_ce-p2
bond_coeff @bond:cf-pf harmonic 256.5 1.8180 # SOURCE3 8 same_as_ce-pe
bond_coeff @bond:cf-px harmonic 254.6 1.8210 # SOURCE3 6 same_as_ce-px
bond_coeff @bond:cf-py harmonic 272.3 1.7940 # SOURCE3 5 same_as_ce-py
bond_coeff @bond:cf-s harmonic 324.5 1.6800 # SOUECE3 1 same_as_ce-s
bond_coeff @bond:cf-sx harmonic 239.7 1.7970 # SOURCE3 5 same_as_ce-sx
bond_coeff @bond:cf-sy harmonic 248.9 1.7820 # SOURCE3 5 same_as_ce-sy
bond_coeff @bond:cg-cg harmonic 494.2 1.3770 # SOURCE1 42 0.0000
bond_coeff @bond:cg-ch harmonic 949.5 1.1910 # SOURCE1 80 0.0015
bond_coeff @bond:cg-n1 harmonic 994.7 1.1430 # SOURCE1 316 0.0018
bond_coeff @bond:cg-ne harmonic 509.5 1.3262 # SOURCE4 17 0.0009
bond_coeff @bond:cg-pe harmonic 429.8 1.6210 # SOURCE3 11 0.2008
bond_coeff @bond:c-h4 harmonic 310.5 1.1123 # SOURCE4 125 0.0023
bond_coeff @bond:c-h5 harmonic 319.4 1.1053 # SOURCE4 42 0.0028
bond_coeff @bond:c-ha harmonic 325.1 1.1010 # SOURCE3 53 0.0102
bond_coeff @bond:ch-ch harmonic 494.2 1.3770 # SOURCE1 42 0.0000
bond_coeff @bond:ch-n1 harmonic 994.7 1.1430 # SOURCE1 316 0.0018
bond_coeff @bond:ch-nf harmonic 509.5 1.3262 # SOURCE4 17 same_as_cg-ne
bond_coeff @bond:ch-pf harmonic 429.8 1.6210 # SOURCE3 11 same_as_cg-pe
bond_coeff @bond:c-i harmonic 198.9 2.2090 # SOURCE3 4 0.0365
bond_coeff @bond:cl-cl harmonic 143.3 2.2670 # SOURCE1 2 0.0395
bond_coeff @bond:cl-cx harmonic 301.8 1.7550 # SOURCE1 64 0.0000
bond_coeff @bond:cl-cy harmonic 292.0 1.7680 # SOURCE2 2 0.0070
bond_coeff @bond:cl-f harmonic 298.6 1.6480 # SOURCE2 2 0.0500
bond_coeff @bond:cl-i harmonic 163.5 2.5500 # SOURCE1 6 0.0893
bond_coeff @bond:cl-n1 harmonic 431.6 1.6300 # SOUECE3 1
bond_coeff @bond:cl-n2 harmonic 263.4 1.8190 # SOURCE3 6 0.1020
bond_coeff @bond:cl-n3 harmonic 290.4 1.7800 # SOURCE4 5 0.0021
bond_coeff @bond:cl-n harmonic 344.2 1.7140 # SOURCE4 5 0.0005
bond_coeff @bond:cl-n4 harmonic 311.1 1.7530 # SOURCE3 4 0.0098
bond_coeff @bond:cl-na harmonic 253.2 1.8350 # SOURCE3 7 0.2083
bond_coeff @bond:cl-nh harmonic 303.2 1.7630 # SOURCE3 1 0.0000
bond_coeff @bond:cl-no harmonic 250.1 1.8400 # SOURCE2 1 0.0000
bond_coeff @bond:cl-o harmonic 557.6 1.4830 # SOURCE3 4 0.0000
bond_coeff @bond:cl-oh harmonic 309.7 1.6900 # SOURCE2 1 0.0000
bond_coeff @bond:cl-os harmonic 278.8 1.7300 # SOURCE3 4 0.0000
bond_coeff @bond:cl-p2 harmonic 217.5 2.0700 # SOURCE3 6 0.0108
bond_coeff @bond:cl-p3 harmonic 249.4 2.0080 # SOURCE1 111 0.0000
bond_coeff @bond:cl-p4 harmonic 249.4 2.0080 # SOURCE1 111 0.0000
bond_coeff @bond:cl-p5 harmonic 249.4 2.0080 # SOURCE1 111 0.0000
bond_coeff @bond:cl-pb harmonic 255.6 1.9970 # SOURCE1 46 0.0000
bond_coeff @bond:cl-s harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:cl-s2 harmonic 172.7 2.1610 # SOURCE2 1 0.0000
bond_coeff @bond:cl-s4 harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:cl-s6 harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:cl-sh harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:cl-ss harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:cl-sx harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:cl-sy harmonic 208.7 2.0720 # SOURCE1 6 0.0000
bond_coeff @bond:c-n2 harmonic 374.6 1.4200 # SOUECE3 1
bond_coeff @bond:c-n4 harmonic 255.5 1.5460 # SOURCE3 4 0.0388
bond_coeff @bond:c-n harmonic 478.2 1.3450 # SOURCE1 1235 0.0215
bond_coeff @bond:c-nc harmonic 412.1 1.3906 # CORR 124
bond_coeff @bond:c-nd harmonic 412.1 1.3906 # CORR 124
bond_coeff @bond:c-ne harmonic 408.2 1.3932 # CORR 52
bond_coeff @bond:c-nf harmonic 408.2 1.3932 # CORR 52
bond_coeff @bond:c-no harmonic 260.1 1.5400 # SOUECE3 1
bond_coeff @bond:c-o harmonic 648.0 1.2140 # SOURCE1 3682 0.0165
bond_coeff @bond:c-oh harmonic 466.4 1.3060 # SOURCE1 271 0.0041
bond_coeff @bond:c-os harmonic 411.3 1.3430 # SOURCE1 1044 0.0171
bond_coeff @bond:c-p2 harmonic 210.3 1.9000 # SOUECE3 1
bond_coeff @bond:c-p3 harmonic 219.0 1.8830 # SOURCE3 6 0.0129
bond_coeff @bond:c-p4 harmonic 220.6 1.8800 # SOUECE3 1
bond_coeff @bond:c-p5 harmonic 219.8 1.8815 # SOURCE4 11 0.0078
bond_coeff @bond:cp-cp harmonic 346.5 1.4900 # SOURCE1 242 0.0010
bond_coeff @bond:cp-cq harmonic 419.3 1.4282 # SOURCE4 7 0.0034
bond_coeff @bond:c-pe harmonic 204.9 1.9110 # SOURCE3 3 0.0025
bond_coeff @bond:c-pf harmonic 204.9 1.9110 # SOURCE3 3 same_as_c-pe
bond_coeff @bond:cp-na harmonic 420.5 1.3840 # SOURCE4 7 0.0181
bond_coeff @bond:cp-nb harmonic 486.7 1.3398 # SOURCE4 70 0.0062
bond_coeff @bond:c-px harmonic 208.3 1.9040 # SOURCE3 1 0.0000
bond_coeff @bond:c-py harmonic 227.6 1.8670 # SOURCE3 6 0.0199
bond_coeff @bond:cq-cq harmonic 346.5 1.4900 # SOURCE1 242 0.0010
bond_coeff @bond:c-s harmonic 328.9 1.6750 # SOURCE1 401 0.0128
bond_coeff @bond:c-s4 harmonic 200.4 1.8700 # SOUECE3 1
bond_coeff @bond:c-s6 harmonic 200.4 1.8700 # SOUECE3 1
bond_coeff @bond:c-sh harmonic 249.6 1.7810 # SOURCE3 6 0.0171
bond_coeff @bond:c-ss harmonic 261.9 1.7620 # SOURCE1 20 0.0000
bond_coeff @bond:c-sx harmonic 193.3 1.8850 # SOURCE3 5 0.0088
bond_coeff @bond:c-sy harmonic 202.8 1.8650 # SOURCE3 5 0.0085
bond_coeff @bond:cu-cu harmonic 653.7 1.2940 # SOURCE1 10 0.0000
bond_coeff @bond:cu-cx harmonic 327.3 1.5090 # SOURCE1 20 0.0000
bond_coeff @bond:cu-ha harmonic 353.0 1.0810 # SOURCE2 3 0.0111
bond_coeff @bond:cv-cv harmonic 568.1 1.3350 # SOURCE1 25 0.0000
bond_coeff @bond:cv-cy harmonic 323.5 1.5130 # SOURCE1 50 0.0000
bond_coeff @bond:cv-ha harmonic 344.3 1.0870 # SOURCE3 2 0.0000
bond_coeff @bond:cx-cv harmonic 328.3 1.5080 # SOURCE1 2536 as
bond_coeff @bond:cx-cx harmonic 337.3 1.4990 # SOURCE1 1204 0.0183
bond_coeff @bond:cx-cy harmonic 321.5 1.5150 # SOURCE3 2 0.0000
bond_coeff @bond:cx-f harmonic 347.2 1.3580 # SOURCE2 3 0.0050
bond_coeff @bond:cx-h1 harmonic 344.3 1.0870 # SOURCE3 10 0.0017
bond_coeff @bond:cx-h2 harmonic 350.1 1.0830 # SOURCE3 2 0.0000
bond_coeff @bond:cx-hc harmonic 345.8 1.0860 # SOURCE3 44 0.0011
bond_coeff @bond:cx-hx harmonic 347.2 1.0850 # SOURCE4 5 0.0002
bond_coeff @bond:cx-n2 harmonic 309.1 1.4820 # SOURCE3 2 0.0000
bond_coeff @bond:cx-n3 harmonic 318.7 1.4720 # SOURCE1 134 0.0000
bond_coeff @bond:cx-n harmonic 350.6 1.4411 # SOURCE4 11 0.0092
bond_coeff @bond:cx-na harmonic 329.0 1.4616 # SOURCE4 11 0.0016
bond_coeff @bond:cx-nh harmonic 336.7 1.4541 # SOURCE4 83 0.0076
bond_coeff @bond:cx-oh harmonic 387.4 1.3610 # SOURCE3 3 0.0018
bond_coeff @bond:cx-os harmonic 320.1 1.4200 # SOURCE3 7 0.0222
bond_coeff @bond:cx-p3 harmonic 227.6 1.8670 # SOURCE2 1 0.0000
bond_coeff @bond:cx-s4 harmonic 225.3 1.8220 # SOURCE2 1 0.0000
bond_coeff @bond:cx-s6 harmonic 283.7 1.7310 # SOURCE2 1 0.0000
bond_coeff @bond:cx-ss harmonic 229.2 1.8150 # SOURCE2 1 0.0000
bond_coeff @bond:cy-cy harmonic 286.8 1.5540 # SOURCE1 742 0.0041
bond_coeff @bond:cy-f harmonic 355.5 1.3509 # SOURCE4 8 0.0047
bond_coeff @bond:cy-h1 harmonic 330.4 1.0970 # SOURCE3 17 0.0058
bond_coeff @bond:cy-h2 harmonic 335.8 1.0931 # SOURCE4 80 0.0019
bond_coeff @bond:cy-hc harmonic 334.5 1.0940 # SOURCE3 63 0.0014
bond_coeff @bond:cy-n harmonic 321.3 1.4693 # SOURCE4 250 0.0102
bond_coeff @bond:cy-n3 harmonic 307.2 1.4840 # SOURCE1 21 0.0000
bond_coeff @bond:cy-oh harmonic 325.2 1.4150 # SOURCE3 2 0.0000
bond_coeff @bond:cy-os harmonic 308.6 1.4316 # SOURCE4 23 0.0136
bond_coeff @bond:cy-s6 harmonic 209.6 1.8514 # SOURCE4 9 0.0166
bond_coeff @bond:cy-ss harmonic 211.3 1.8481 # SOURCE4 78 0.0080
bond_coeff @bond:cz-nh harmonic 487.8 1.3391 # SOURCE4 32 0.0045
bond_coeff @bond:f-n1 harmonic 375.7 1.4100 # SOUECE3 1
bond_coeff @bond:f-n2 harmonic 337.5 1.4440 # SOURCE3 5 0.0377
bond_coeff @bond:f-n3 harmonic 380.6 1.4060 # SOURCE1 9 0.0000
bond_coeff @bond:f-n harmonic 391.7 1.3970 # SOURCE3 3 0.0112
bond_coeff @bond:f-n4 harmonic 526.8 1.3080 # SOURCE3 2 0.0000
bond_coeff @bond:f-na harmonic 374.5 1.4110 # SOURCE3 7 0.0611
bond_coeff @bond:f-nh harmonic 357.1 1.4260 # SOURCE3 3 0.0085
bond_coeff @bond:f-no harmonic 314.4 1.4670 # SOURCE2 1 0.0000
bond_coeff @bond:f-o harmonic 442.2 1.3300 # SOUECE3 1
bond_coeff @bond:f-oh harmonic 305.4 1.4440 # SOURCE3 1 0.0000
bond_coeff @bond:f-os harmonic 326.2 1.4230 # SOURCE3 2 0.0000
bond_coeff @bond:f-p2 harmonic 287.3 1.5360 # SOURCE3 7 0.2054
bond_coeff @bond:f-p3 harmonic 254.5 1.5780 # SOURCE2 8 0.0103
bond_coeff @bond:f-p4 harmonic 246.0 1.5900 # SOUECE3 1
bond_coeff @bond:f-p5 harmonic 253.8 1.5790 # SOURCE1 72 0.0000
bond_coeff @bond:f-s2 harmonic 244.4 1.6430 # SOURCE2 1 0.0000
bond_coeff @bond:f-s harmonic 233.3 1.6600 # SOUECE3 1
bond_coeff @bond:f-s4 harmonic 282.4 1.5910 # SOURCE2 4 0.0065
bond_coeff @bond:f-s6 harmonic 312.1 1.5560 # SOURCE2 5 0.0220
bond_coeff @bond:f-sh harmonic 240.4 1.6490 # SOURCE3 1 0.0000
bond_coeff @bond:f-ss harmonic 250.5 1.6340 # SOURCE3 3 0.0156
bond_coeff @bond:hn-n1 harmonic 455.1 0.9860 # SOURCE2 1 0.0000
bond_coeff @bond:hn-n2 harmonic 375.5 1.0290 # SOURCE3 108 0.0096
bond_coeff @bond:hn-n3 harmonic 394.1 1.0180 # SOURCE3 157 0.0086
bond_coeff @bond:hn-n harmonic 410.2 1.0090 # SOURCE3 149 0.0098
bond_coeff @bond:hn-n4 harmonic 369.0 1.0330 # SOURCE3 264 0.0082
bond_coeff @bond:hn-na harmonic 406.6 1.0110 # SOURCE3 46 0.0107
bond_coeff @bond:hn-nh harmonic 401.2 1.0140 # SOURCE3 209 0.0091
bond_coeff @bond:hn-no harmonic 385.6 1.0230 # SOURCE3 1 0.0000
bond_coeff @bond:ho-o harmonic 357.9 0.9810 # SOURCE3 1 0.0000
bond_coeff @bond:ho-oh harmonic 369.6 0.9740 # SOURCE3 367 0.0105
bond_coeff @bond:hp-p2 harmonic 385.1 1.3360 # SOURCE3 87 0.1706
bond_coeff @bond:hp-p3 harmonic 303.1 1.4090 # SOURCE3 101 0.0617
bond_coeff @bond:hp-p4 harmonic 368.7 1.3490 # SOURCE3 17 0.1577
bond_coeff @bond:hp-p5 harmonic 305.0 1.4070 # SOURCE3 7 0.0062
bond_coeff @bond:hs-s harmonic 286.4 1.3530 # SOURCE3 1 0.0000
bond_coeff @bond:hs-s4 harmonic 266.4 1.3750 # SOURCE3 5 0.0004
bond_coeff @bond:hs-s6 harmonic 280.8 1.3590 # SOURCE3 5 0.0015
bond_coeff @bond:hs-sh harmonic 302.2 1.3370 # SOURCE3 98 0.0486
bond_coeff @bond:i-i harmonic 109.2 2.9170 # SOURCE1 1 0.0000
bond_coeff @bond:i-n1 harmonic 302.1 2.0600 # SOUECE3 1
bond_coeff @bond:i-n2 harmonic 182.6 2.3040 # SOURCE3 6 0.1186
bond_coeff @bond:i-n harmonic 278.3 2.0980 # SOURCE3 5 0.0156
bond_coeff @bond:i-n3 harmonic 231.8 2.1850 # SOURCE3 3 0.0437
bond_coeff @bond:i-n4 harmonic 246.6 2.1550 # SOURCE3 3 0.0168
bond_coeff @bond:i-na harmonic 260.5 2.1290 # SOURCE3 8 0.1276
bond_coeff @bond:i-nh harmonic 249.2 2.1500 # SOURCE3 1 0.0000
bond_coeff @bond:i-no harmonic 211.0 2.2310 # SOURCE3 1 0.0000
bond_coeff @bond:i-o harmonic 323.8 1.9800 # SOUECE3 1
bond_coeff @bond:i-oh harmonic 247.9 2.1010 # SOURCE3 2 0.0000
bond_coeff @bond:i-os harmonic 233.6 2.1290 # SOURCE3 3 0.0146
bond_coeff @bond:i-p2 harmonic 108.2 2.6430 # SOURCE3 6 0.0297
bond_coeff @bond:i-p3 harmonic 123.6 2.5660 # SOURCE3 3 0.0016
bond_coeff @bond:i-p4 harmonic 183.0 2.3520 # SOURCE3 4 0.2600
bond_coeff @bond:i-p5 harmonic 117.3 2.5960 # SOURCE3 3 0.0143
bond_coeff @bond:i-s harmonic 175.1 2.4300 # SOUECE3 1
bond_coeff @bond:i-s4 harmonic 82.8 2.8700 # SOUECE3 1
bond_coeff @bond:i-s6 harmonic 82.8 2.8700 # SOURCE3 1 0.0000
bond_coeff @bond:i-sh harmonic 138.5 2.5600 # SOUECE3 1
bond_coeff @bond:i-ss harmonic 135.9 2.5710 # SOURCE3 3 0.0065
bond_coeff @bond:n1-n1 harmonic 1221.7 1.1240 # SOURCE1 19 0.0000
bond_coeff @bond:n1-n2 harmonic 857.4 1.2160 # SOURCE1 19 0.0000
bond_coeff @bond:n1-n3 harmonic 535.7 1.3500 # SOUECE3 1
bond_coeff @bond:n1-n4 harmonic 518.2 1.3600 # SOUECE3 1
bond_coeff @bond:n1-na harmonic 535.7 1.3500 # SOUECE3 1
bond_coeff @bond:n1-nc harmonic 857.4 1.2160 # SOURCE1 38 0.0000
bond_coeff @bond:n1-nd harmonic 857.4 1.2160 # SOURCE1 38 0.0000
bond_coeff @bond:n1-ne harmonic 751.9 1.2520 # SOURCE2 1 0.0000
bond_coeff @bond:n1-nf harmonic 751.9 1.2520 # SOURCE2 1 same_as_n1-ne
bond_coeff @bond:n1-nh harmonic 553.9 1.3400 # SOUECE3 1
bond_coeff @bond:n1-no harmonic 454.8 1.4000 # SOUECE3 1
bond_coeff @bond:n1-o harmonic 617.5 1.2770 # SOURCE3 5 0.0438
bond_coeff @bond:n1-oh harmonic 569.8 1.3000 # SOUECE3 1
bond_coeff @bond:n1-os harmonic 550.5 1.3100 # SOUECE3 1
bond_coeff @bond:n1-p2 harmonic 358.8 1.6780 # SOURCE3 2 0.0282
bond_coeff @bond:n1-p3 harmonic 376.7 1.6600 # SOUECE3 1
bond_coeff @bond:n1-p4 harmonic 353.0 1.6800 # SOURCE3 0
bond_coeff @bond:n1-p5 harmonic 482.7 1.5710 # SOURCE1 132 0.0000
bond_coeff @bond:n1-s2 harmonic 604.3 1.4490 # SOURCE2 2 0.0010
bond_coeff @bond:n1-s harmonic 328.7 1.6590 # SOURCE3 6 0.0789
bond_coeff @bond:n1-s4 harmonic 336.8 1.6500 # SOUECE3 1
bond_coeff @bond:n1-s6 harmonic 670.3 1.4160 # SOURCE2 2 0.0000
bond_coeff @bond:n1-sh harmonic 376.1 1.6100 # SOUECE3 1
bond_coeff @bond:n1-ss harmonic 376.1 1.6100 # SOUECE3 1
bond_coeff @bond:n2-n2 harmonic 702.7 1.2710 # SOURCE3 27 0.0347
bond_coeff @bond:n2-n3 harmonic 574.8 1.3290 # SOURCE2 1 0.0000
bond_coeff @bond:n2-n4 harmonic 200.8 1.6790 # SOURCE3 7 0.3138
bond_coeff @bond:n2-na harmonic 503.9 1.3685 # SOURCE4 18 0.0066
bond_coeff @bond:n2-nc harmonic 743.9 1.2550 # SOURCE1 13 0.0000
bond_coeff @bond:n2-nd harmonic 743.9 1.2550 # SOURCE1 13 same_as_n2_nc
bond_coeff @bond:n2-ne harmonic 685.5 1.2780 # SOURCE3 30 0.0302
bond_coeff @bond:n2-nf harmonic 685.5 1.2780 # SOURCE3 30 same_as_n2-ne
bond_coeff @bond:n2-nh harmonic 525.1 1.3560 # SOURCE3 22 0.0300
bond_coeff @bond:n2-no harmonic 231.9 1.6260 # SOURCE3 4 0.1933
bond_coeff @bond:n2-o harmonic 789.9 1.2090 # SOURCE3 20 0.0344
bond_coeff @bond:n2-oh harmonic 416.2 1.3940 # SOURCE1 67 0.0000
bond_coeff @bond:n2-os harmonic 400.5 1.4060 # SOURCE3 10 0.0147
bond_coeff @bond:n2-p2 harmonic 438.3 1.6050 # SOURCE3 35 0.0737
bond_coeff @bond:n2-p3 harmonic 286.5 1.7640 # SOURCE3 7 0.0374
bond_coeff @bond:n2-p4 harmonic 317.7 1.7240 # SOUECE3 1
bond_coeff @bond:n2-p5 harmonic 445.8 1.5990 # SOURCE1 7 0.0000
bond_coeff @bond:n2-pe harmonic 527.9 1.5400 # SOURCE3 20 0.1392
bond_coeff @bond:n2-pf harmonic 527.9 1.5400 # SOURCE3 20 same_as_n2-pe
bond_coeff @bond:n2-s2 harmonic 499.0 1.5120 # SOURCE2 1 0.0000
bond_coeff @bond:n2-s4 harmonic 376.1 1.6100 # SOUECE3 1
bond_coeff @bond:n2-s harmonic 458.1 1.5410 # SOURCE1 37 0.0000
bond_coeff @bond:n2-s6 harmonic 444.6 1.5513 # SOURCE4 5 0.0011
bond_coeff @bond:n2-sh harmonic 266.6 1.7380 # SOURCE3 5 0.0511
bond_coeff @bond:n2-ss harmonic 331.4 1.6560 # SOURCE1 36 0.0000
bond_coeff @bond:n3-n3 harmonic 383.6 1.4540 # SOURCE1 44 0.0000
bond_coeff @bond:n3-n4 harmonic 434.9 1.4140 # SOURCE1 13 0.0000
bond_coeff @bond:n3-na harmonic 426.7 1.4200 # SOURCE1 68 0.0000
bond_coeff @bond:n3-nh harmonic 426.7 1.4200 # SOURCE1 68 0.0000
bond_coeff @bond:n3-no harmonic 394.5 1.4450 # SOURCE3 3 0.0208
bond_coeff @bond:n3-o harmonic 564.0 1.3030 # SOURCE3 4 0.1217
bond_coeff @bond:n3-oh harmonic 413.5 1.3960 # SOURCE1 28 0.0000
bond_coeff @bond:n3-os harmonic 359.6 1.4400 # SOURCE1 34 0.0315
bond_coeff @bond:n3-p2 harmonic 366.6 1.6700 # SOUECE3 1
bond_coeff @bond:n3-p3 harmonic 312.8 1.7300 # SOURCE1 40 0.0000
bond_coeff @bond:n3-p4 harmonic 341.1 1.6970 # SOURCE1 88 0.0000
bond_coeff @bond:n3-p5 harmonic 373.6 1.6630 # SOURCE1 501 0.0086
bond_coeff @bond:n3-py harmonic 338.1 1.7003 # SOURCE4 6 0.0044
bond_coeff @bond:n3-s harmonic 232.3 1.7920 # SOURCE3 3 0.0178
bond_coeff @bond:n3-s4 harmonic 251.3 1.7610 # SOURCE3 6 0.0766
bond_coeff @bond:n3-s6 harmonic 353.8 1.6320 # SOURCE1 99 0.0136
bond_coeff @bond:n3-sh harmonic 265.9 1.7390 # SOURCE3 3 0.0154
bond_coeff @bond:n3-ss harmonic 277.9 1.7220 # SOURCE3 5 0.0207
bond_coeff @bond:n3-sy harmonic 297.3 1.6964 # SOURCE4 226 0.0081
bond_coeff @bond:n4-n4 harmonic 349.9 1.4840 # SOURCE3 4 0.0089
bond_coeff @bond:n4-na harmonic 407.0 1.4350 # SOURCE3 9 0.0390
bond_coeff @bond:n4-nh harmonic 369.7 1.4660 # SOURCE3 5 0.0108
bond_coeff @bond:n4-no harmonic 354.2 1.4800 # SOUECE3 1
bond_coeff @bond:n4-o harmonic 463.6 1.3610 # SOURCE3 3 0.0041
bond_coeff @bond:n4-oh harmonic 408.2 1.4000 # SOURCE3 3 0.0115
bond_coeff @bond:n4-os harmonic 381.8 1.4210 # SOURCE3 5 0.0249
bond_coeff @bond:n4-p2 harmonic 185.9 1.9420 # SOURCE3 10 0.0643
bond_coeff @bond:n4-p3 harmonic 215.1 1.8800 # SOURCE3 5 0.0146
bond_coeff @bond:n4-p4 harmonic 187.6 1.9380 # SOURCE3 1 0.0000
bond_coeff @bond:n4-p5 harmonic 242.9 1.8300 # SOURCE3 5 0.0087
bond_coeff @bond:n4-py harmonic 204.2 1.9020 # SOURCE3 4 0.0000
bond_coeff @bond:n4-s harmonic 210.3 1.8320 # SOURCE3 3 0.0004
bond_coeff @bond:n4-s4 harmonic 151.0 1.9720 # SOURCE3 3 0.0198
bond_coeff @bond:n4-s6 harmonic 172.7 1.9140 # SOURCE3 5 0.0432
bond_coeff @bond:n4-sh harmonic 221.5 1.8110 # SOURCE3 3 0.0027
bond_coeff @bond:n4-ss harmonic 221.0 1.8120 # SOURCE3 5 0.0064
bond_coeff @bond:na-na harmonic 453.3 1.4010 # SOURCE1 40 0.0000
bond_coeff @bond:na-nb harmonic 546.5 1.3440 # SOURCE4 5 0.0070
bond_coeff @bond:na-nc harmonic 535.7 1.3500 # SOURCE3 152 0.0180
bond_coeff @bond:na-nd harmonic 535.7 1.3500 # SOURCE3 152 0.0180
bond_coeff @bond:na-nh harmonic 453.3 1.4010 # SOURCE1 40 0.0000
bond_coeff @bond:na-no harmonic 401.9 1.4390 # SOURCE3 9 0.0289
bond_coeff @bond:na-o harmonic 644.3 1.2650 # SOURCE1 25 0.0347
bond_coeff @bond:na-oh harmonic 412.2 1.3970 # SOURCE3 9 0.0217
bond_coeff @bond:na-os harmonic 355.2 1.4440 # SOURCE3 45 0.0423
bond_coeff @bond:na-p2 harmonic 297.8 1.7490 # SOURCE3 11 0.0192
bond_coeff @bond:na-p3 harmonic 288.0 1.7620 # SOURCE3 8 0.0113
bond_coeff @bond:na-p4 harmonic 492.4 1.5640 # SOURCE3 5 0.2161
bond_coeff @bond:na-p5 harmonic 325.3 1.7150 # SOURCE3 11 0.0238
bond_coeff @bond:na-pc harmonic 311.1 1.7320 # SOURCE3 81 0.0207
bond_coeff @bond:na-pd harmonic 311.1 1.7320 # SOURCE3 81 same_as_na-pc
bond_coeff @bond:na-py harmonic 327.8 1.7120 # SOURCE3 2 0.0000
bond_coeff @bond:na-s harmonic 248.7 1.7650 # SOURCE3 8 0.0095
bond_coeff @bond:na-s4 harmonic 231.7 1.7930 # SOURCE3 10 0.0421
bond_coeff @bond:na-s6 harmonic 274.3 1.7270 # SOURCE3 10 0.0201
bond_coeff @bond:na-sh harmonic 278.6 1.7210 # SOURCE3 9 0.0113
bond_coeff @bond:na-ss harmonic 270.1 1.7330 # SOURCE3 38 0.0412
bond_coeff @bond:na-sy harmonic 274.3 1.7270 # SOURCE3 1
bond_coeff @bond:nb-nb harmonic 550.2 1.3420 # SOURCE1 15 0.0314
bond_coeff @bond:nb-pb harmonic 461.1 1.5870 # SOURCE1 162 0.0091
bond_coeff @bond:nc-nc harmonic 486.8 1.3790 # SOURCE3 9 0.0164
bond_coeff @bond:nc-nd harmonic 602.9 1.3150 # SOURCE3 9 0.0221
bond_coeff @bond:nc-os harmonic 414.9 1.3950 # SOURCE1 46 0.0188
bond_coeff @bond:nc-ss harmonic 433.5 1.5600 # SOURCE1 74 0.0000
bond_coeff @bond:nc-sy harmonic 439.8 1.5550 # SOURCE3 2
bond_coeff @bond:nd-nd harmonic 486.8 1.3790 # SOURCE3 9 0.0164
bond_coeff @bond:nd-os harmonic 414.9 1.3950 # SOURCE1 46 0.0188
bond_coeff @bond:nd-ss harmonic 433.5 1.5600 # SOURCE1 74 0.0000
bond_coeff @bond:nd-sy harmonic 439.8 1.5550 # SOURCE3 2
bond_coeff @bond:ne-ne harmonic 355.3 1.4790 # SOURCE3 19 0.1705
bond_coeff @bond:ne-nf harmonic 721.6 1.2635 # SOURCE4 25 0.0034
bond_coeff @bond:ne-o harmonic 736.4 1.2280 # SOURCE3 40 0.0255
bond_coeff @bond:ne-p2 harmonic 493.9 1.5630 # SOURCE3 14 0.1325
bond_coeff @bond:ne-pe harmonic 327.8 1.7120 # SOURCE3 28 0.1076
bond_coeff @bond:ne-px harmonic 336.6 1.7020 # SOURCE3 11 0.0883
bond_coeff @bond:ne-py harmonic 425.4 1.6157 # SOURCE4 10 0.0094
bond_coeff @bond:ne-s harmonic 463.5 1.5370 # SOURCE3 22 0.1708
bond_coeff @bond:ne-sx harmonic 207.3 1.8380 # SOURCE3 7 0.1060
bond_coeff @bond:ne-sy harmonic 257.1 1.7520 # SOURCE3 7 0.0814
bond_coeff @bond:nf-nf harmonic 355.3 1.4790 # SOURCE3 19 same_as_ne-ne
bond_coeff @bond:nf-o harmonic 736.4 1.2280 # SOURCE3 40 same_as_ne-o
bond_coeff @bond:nf-p2 harmonic 493.9 1.5630 # SOURCE3 14 same_as_ne-p2
bond_coeff @bond:nf-pf harmonic 327.8 1.7120 # SOURCE3 28 same_as_ne-pe
bond_coeff @bond:nf-px harmonic 336.6 1.7020 # SOURCE3 11 same_as_ne-px
bond_coeff @bond:nf-py harmonic 425.4 1.6157 # SOURCE4 10 same_as_ne-py
bond_coeff @bond:nf-s harmonic 463.5 1.5370 # SOURCE3 22 same_as_ne-s
bond_coeff @bond:nf-sx harmonic 207.3 1.8380 # SOURCE3 7 same_as_ne-sx
bond_coeff @bond:nf-sy harmonic 257.1 1.7520 # SOURCE3 7 same_as_ne-sy
bond_coeff @bond:nh-nh harmonic 453.3 1.4010 # SOURCE1 40 0.0000
bond_coeff @bond:nh-no harmonic 477.4 1.3850 # SOURCE4 7 0.0036
bond_coeff @bond:nh-o harmonic 596.2 1.2870 # SOURCE3 3 0.0450
bond_coeff @bond:nh-oh harmonic 389.9 1.4144 # SOURCE4 19 0.0064
bond_coeff @bond:nh-os harmonic 387.8 1.4161 # SOURCE4 6 0.0039
bond_coeff @bond:nh-p2 harmonic 357.8 1.6790 # SOURCE3 17 0.0872
bond_coeff @bond:nh-p3 harmonic 312.8 1.7300 # SOURCE3 3 0.0016
bond_coeff @bond:nh-p4 harmonic 333.1 1.7060 # SOURCE3 3 0.0008
bond_coeff @bond:nh-p5 harmonic 365.6 1.6710 # SOURCE3 3 0.0007
bond_coeff @bond:nh-s harmonic 237.0 1.7840 # SOURCE3 3 0.0076
bond_coeff @bond:nh-s4 harmonic 259.1 1.7490 # SOURCE3 3 0.0203
bond_coeff @bond:nh-s6 harmonic 297.2 1.6965 # SOURCE4 33 0.0062
bond_coeff @bond:nh-sh harmonic 288.3 1.7080 # SOURCE3 1 0.0000
bond_coeff @bond:nh-ss harmonic 288.3 1.7080 # SOURCE1 52 0.0015
bond_coeff @bond:nh-sy harmonic 283.5 1.7144 # SOURCE4 80 0.0066
bond_coeff @bond:n-n1 harmonic 553.9 1.3400 # SOUECE3 1
bond_coeff @bond:n-n2 harmonic 499.7 1.3710 # SOURCE3 9 0.0200
bond_coeff @bond:n-n3 harmonic 443.3 1.4080 # SOURCE3 5 0.0087
bond_coeff @bond:n-n4 harmonic 410.8 1.4320 # SOURCE3 5 0.0098
bond_coeff @bond:n-n harmonic 469.7 1.3900 # SOURCE3 5 0.0038
bond_coeff @bond:n-na harmonic 486.8 1.3790 # SOURCE3 11 0.0071
bond_coeff @bond:n-nc harmonic 523.7 1.3568 # CORR 76
bond_coeff @bond:n-nd harmonic 523.7 1.3568 # CORR 76
bond_coeff @bond:n-nh harmonic 451.2 1.4025 # SOURCE4 20 0.0074
bond_coeff @bond:n-no harmonic 381.2 1.4560 # SOURCE3 4 0.0327
bond_coeff @bond:n-o harmonic 646.6 1.2640 # SOURCE3 9 0.0381
bond_coeff @bond:n-oh harmonic 395.4 1.4100 # SOURCE3 6 0.0106
bond_coeff @bond:no-no harmonic 138.3 1.8240 # SOURCE3 1 0.0000
bond_coeff @bond:no-o harmonic 761.2 1.2190 # SOURCE1 1838 0.0049
bond_coeff @bond:no-oh harmonic 400.5 1.4060 # SOURCE2 1 0.0000
bond_coeff @bond:no-os harmonic 379.5 1.4229 # SOURCE4 53 0.0076
bond_coeff @bond:no-p2 harmonic 306.3 1.7380 # SOURCE3 10 0.2231
bond_coeff @bond:no-p3 harmonic 234.7 1.8440 # SOURCE3 3 0.0005
bond_coeff @bond:no-p4 harmonic 220.4 1.8700 # SOURCE3 3 0.0006
bond_coeff @bond:no-p5 harmonic 240.5 1.8340 # SOURCE3 4 0.0020
bond_coeff @bond:no-s harmonic 263.8 1.7420 # SOURCE3 2 0.0000
bond_coeff @bond:n-os harmonic 395.0 1.4103 # SOURCE4 30 0.0112
bond_coeff @bond:no-s4 harmonic 143.0 1.9960 # SOURCE3 3 0.0313
bond_coeff @bond:no-s6 harmonic 149.6 1.9760 # SOURCE3 3 0.0520
bond_coeff @bond:no-sh harmonic 225.4 1.8040 # SOURCE3 1 0.0000
bond_coeff @bond:no-ss harmonic 212.4 1.8280 # SOURCE3 3 0.0244
bond_coeff @bond:n-p2 harmonic 310.3 1.7330 # SOURCE3 8 0.0217
bond_coeff @bond:n-p3 harmonic 282.2 1.7700 # SOURCE3 9 0.0118
bond_coeff @bond:n-p4 harmonic 309.5 1.7340 # SOURCE3 1 0.0000
bond_coeff @bond:n-p5 harmonic 331.3 1.7080 # SOURCE4 6 0.0022
bond_coeff @bond:n-pc harmonic 304.8 1.7400 # SOURCE3 3 0.0010
bond_coeff @bond:n-pd harmonic 304.8 1.7400 # SOURCE3 3 same_as_n-pc
bond_coeff @bond:n-s harmonic 247.5 1.7670 # SOURCE3 3 0.0011
bond_coeff @bond:n-s4 harmonic 238.2 1.7820 # SOURCE3 4 0.0214
bond_coeff @bond:n-s6 harmonic 283.0 1.7151 # SOURCE4 13 0.0138
bond_coeff @bond:n-sh harmonic 273.6 1.7280 # SOURCE3 4 0.0128
bond_coeff @bond:n-ss harmonic 281.6 1.7170 # SOURCE3 7 0.0133
bond_coeff @bond:n-sy harmonic 282.9 1.7152 # SOURCE4 51 0.0079
bond_coeff @bond:oh-oh harmonic 340.5 1.4690 # SOURCE3 1 0.0000
bond_coeff @bond:oh-os harmonic 355.8 1.4547 # SOURCE4 19 0.0050
bond_coeff @bond:oh-p2 harmonic 316.8 1.6300 # SOURCE3 8 0.0916
bond_coeff @bond:oh-p3 harmonic 278.8 1.6770 # SOURCE3 3 0.0148
bond_coeff @bond:oh-p4 harmonic 307.4 1.6410 # SOURCE3 4 0.0092
bond_coeff @bond:oh-p5 harmonic 321.2 1.6250 # SOURCE3 92 0.0451
bond_coeff @bond:oh-py harmonic 332.1 1.6130 # SOURCE3 79 0.0138
bond_coeff @bond:oh-s harmonic 190.0 1.8120 # SOURCE3 2 0.0000
bond_coeff @bond:oh-s4 harmonic 256.3 1.6954 # SOURCE4 10 0.0091
bond_coeff @bond:oh-s6 harmonic 344.1 1.5880 # SOURCE3 13 0.0091
bond_coeff @bond:oh-sh harmonic 258.6 1.6920 # SOURCE3 2 0.0003
bond_coeff @bond:oh-ss harmonic 265.6 1.6820 # SOURCE3 4 0.0131
bond_coeff @bond:oh-sy harmonic 290.4 1.6490 # SOURCE4 33 0.0044
bond_coeff @bond:o-o harmonic 384.3 1.4300 # SOURCE3 2 0.0500
bond_coeff @bond:o-oh harmonic 294.6 1.5170 # SOURCE3 2 0.0000
bond_coeff @bond:o-os harmonic 306.3 1.5040 # SOURCE3 3 0.0117
bond_coeff @bond:o-p2 harmonic 449.7 1.5080 # SOURCE3 17 0.0306
bond_coeff @bond:o-p3 harmonic 440.4 1.5150 # SOURCE3 35 0.0297
bond_coeff @bond:o-p4 harmonic 456.4 1.5030 # SOURCE3 42 0.0749
bond_coeff @bond:o-p5 harmonic 487.7 1.4810 # SOURCE1 263 0.0205
bond_coeff @bond:o-pe harmonic 432.6 1.5210 # SOURCE3 20 0.0171
bond_coeff @bond:o-pf harmonic 432.6 1.5210 # SOURCE3 20 same_as_o-pe
bond_coeff @bond:o-px harmonic 459.2 1.5010 # SOURCE3 37 0.0160
bond_coeff @bond:o-py harmonic 477.5 1.4880 # SOURCE3 63 0.0091
bond_coeff @bond:o-s harmonic 194.8 1.8020 # SOURCE3 2 0.0000
bond_coeff @bond:o-s2 harmonic 333.6 1.5990 # SOURCE3 3 0.0707
bond_coeff @bond:o-s4 harmonic 448.7 1.4970 # SOURCE1 90 0.0000
bond_coeff @bond:o-s6 harmonic 541.1 1.4360 # SOURCE1 1038 0.0128
bond_coeff @bond:o-sh harmonic 328.0 1.6050 # SOURCE3 2 0.0000
bond_coeff @bond:os-os harmonic 343.6 1.4660 # SOURCE1 20 0.0067
bond_coeff @bond:os-p2 harmonic 371.9 1.5730 # SOURCE1 16 0.0000
bond_coeff @bond:os-p3 harmonic 272.2 1.6860 # SOURCE3 6 0.0201
bond_coeff @bond:os-p4 harmonic 311.6 1.6360 # SOURCE3 4 0.0057
bond_coeff @bond:os-p5 harmonic 342.5 1.6020 # SOURCE1 248 0.0400
bond_coeff @bond:os-py harmonic 328.5 1.6170 # SOURCE3 17 0.0139
bond_coeff @bond:os-s harmonic 195.8 1.8000 # SOURCE3 3 0.0052
bond_coeff @bond:o-ss harmonic 398.5 1.5370 # SOURCE3 3 0.0501
bond_coeff @bond:os-s4 harmonic 253.9 1.6990 # SOURCE3 8 0.0223
bond_coeff @bond:os-s6 harmonic 355.0 1.5770 # SOURCE1 75 0.0030
bond_coeff @bond:os-sh harmonic 273.6 1.6710 # SOURCE3 3 0.0106
bond_coeff @bond:os-ss harmonic 250.5 1.7040 # SOURCE3 9 0.0277
bond_coeff @bond:os-sy harmonic 253.9 1.6990 # SOURCE3 1 0.0000
bond_coeff @bond:o-sx harmonic 434.2 1.5080 # SOURCE3 40 0.0130
bond_coeff @bond:o-sy harmonic 493.0 1.4660 # SOURCE3 92 0.0114
bond_coeff @bond:p2-p2 harmonic 490.3 1.7860 # SOURCE3 25 0.3488
bond_coeff @bond:p2-p3 harmonic 211.9 2.1520 # SOURCE3 9 0.1777
bond_coeff @bond:p2-p4 harmonic 200.4 2.1790 # SOUECE3 1
bond_coeff @bond:p2-p5 harmonic 199.9 2.1800 # SOUECE3 1
bond_coeff @bond:p2-pe harmonic 401.6 1.8670 # SOURCE3 16 0.3571
bond_coeff @bond:p2-pf harmonic 401.6 1.8670 # SOURCE3 16 same_as_p2-pe
bond_coeff @bond:p2-s harmonic 361.6 1.7720 # SOURCE3 26 0.3014
bond_coeff @bond:p2-s4 harmonic 139.4 2.1900 # SOUECE3 1
bond_coeff @bond:p2-s6 harmonic 142.3 2.1800 # SOUECE3 1
bond_coeff @bond:p2-sh harmonic 224.0 1.9710 # SOURCE3 10 0.2829
bond_coeff @bond:p2-ss harmonic 226.6 1.9660 # SOURCE3 10 0.2739
bond_coeff @bond:p3-p3 harmonic 186.5 2.2140 # SOURCE1 41 0.0000
bond_coeff @bond:p3-p4 harmonic 185.7 2.2160 # SOURCE3 3 0.0011
bond_coeff @bond:p3-p5 harmonic 186.9 2.2130 # SOURCE3 9 0.0265
bond_coeff @bond:p3-s harmonic 179.7 2.0700 # SOUECE3 1
bond_coeff @bond:p3-s4 harmonic 173.2 2.0870 # SOURCE3 8 0.2235
bond_coeff @bond:p3-s6 harmonic 176.9 2.0770 # SOURCE3 11 0.1420
bond_coeff @bond:p3-sh harmonic 157.3 2.1320 # SOURCE3 3 0.0078
bond_coeff @bond:p3-ss harmonic 161.0 2.1210 # SOURCE3 3 0.0059
bond_coeff @bond:p4-p4 harmonic 273.1 2.0340 # SOURCE1 1 0.0000
bond_coeff @bond:p4-p5 harmonic 178.0 2.2370 # SOUECE3 1
bond_coeff @bond:p4-s harmonic 152.7 2.1460 # SOURCE3 5 0.0601
bond_coeff @bond:p4-s4 harmonic 123.2 2.2510 # SOUECE3 1
bond_coeff @bond:p4-s6 harmonic 118.9 2.2690 # SOUECE3 1
bond_coeff @bond:p4-sh harmonic 163.1 2.1150 # SOURCE3 4 0.0008
bond_coeff @bond:p4-ss harmonic 167.0 2.1040 # SOURCE3 4 0.0044
bond_coeff @bond:p5-p5 harmonic 261.4 2.0540 # SOURCE1 1 0.0000
bond_coeff @bond:p5-s harmonic 250.8 1.9220 # SOURCE1 89 0.0140
bond_coeff @bond:p5-s4 harmonic 191.9 2.0400 # SOUECE3 1
bond_coeff @bond:p5-s6 harmonic 191.9 2.0400 # SOUECE3 1
bond_coeff @bond:p5-sh harmonic 175.0 2.0820 # SOURCE3 3 0.0035
bond_coeff @bond:p5-ss harmonic 163.1 2.1149 # SOURCE4 24 0.0106
bond_coeff @bond:pe-pe harmonic 240.7 2.0920 # SOURCE3 7 0.1369
bond_coeff @bond:pe-pf harmonic 260.8 2.0550 # SOURCE3 1 0.0000
bond_coeff @bond:pe-px harmonic 291.4 2.0050 # SOURCE3 12 0.2609
bond_coeff @bond:pe-py harmonic 278.6 2.0250 # SOURCE3 12 0.2617
bond_coeff @bond:pe-s harmonic 374.7 1.7580 # SOURCE3 31 0.3197
bond_coeff @bond:pe-sx harmonic 145.9 2.1680 # SOURCE3 9 0.1743
bond_coeff @bond:pe-sy harmonic 133.0 2.2130 # SOURCE3 6 0.0127
bond_coeff @bond:pf-pf harmonic 240.7 2.0920 # SOURCE3 7 same_as_pe-pe
bond_coeff @bond:pf-px harmonic 291.4 2.0050 # SOURCE3 12 same_as_pe-px
bond_coeff @bond:pf-py harmonic 278.6 2.0250 # SOURCE3 12 same_as_pe-py
bond_coeff @bond:pf-s harmonic 374.7 1.7580 # SOURCE3 31 same_as_pe-s
bond_coeff @bond:pf-sx harmonic 145.9 2.1680 # SOURCE3 9 same_as_pe-sx
bond_coeff @bond:pf-sy harmonic 133.0 2.2130 # SOURCE3 6 same_as_pe-sy
bond_coeff @bond:px-py harmonic 192.3 2.1990 # SOURCE3 5 0.0238
bond_coeff @bond:px-sx harmonic 125.4 2.2420 # SOURCE3 3 0.0119
bond_coeff @bond:px-sy harmonic 123.7 2.2490 # SOURCE3 3 0.0272
bond_coeff @bond:py-py harmonic 197.5 2.1860 # SOURCE3 8 0.0132
bond_coeff @bond:py-sx harmonic 121.2 2.2590 # SOURCE3 7 0.0603
bond_coeff @bond:py-sy harmonic 141.7 2.1820 # SOURCE3 5 0.0047
bond_coeff @bond:s4-s4 harmonic 151.5 2.0800 # SOUECE3 1
bond_coeff @bond:s4-s6 harmonic 151.5 2.0800 # SOUECE3 1
bond_coeff @bond:s4-sh harmonic 125.7 2.1680 # SOURCE3 3 0.0227
bond_coeff @bond:s4-ss harmonic 126.2 2.1660 # SOURCE3 5 0.0247
bond_coeff @bond:s6-s6 harmonic 151.5 2.0800 # SOUECE3 1
bond_coeff @bond:s6-sh harmonic 142.6 2.1080 # SOURCE3 3 0.0144
bond_coeff @bond:s6-ss harmonic 139.6 2.1180 # SOURCE3 5 0.0209
bond_coeff @bond:sh-sh harmonic 158.9 2.0580 # SOURCE2 1 0.0000
bond_coeff @bond:sh-ss harmonic 155.8 2.0670 # SOURCE3 3 0.0029
bond_coeff @bond:s-s harmonic 169.0 2.0300 # SOURCE3 1 0.0000
bond_coeff @bond:s-s2 harmonic 229.2 1.8970 # SOURCE1 5 0.0000
bond_coeff @bond:s-s4 harmonic 152.8 2.0760 # SOURCE3 4 0.0345
bond_coeff @bond:s-s6 harmonic 166.0 2.0380 # SOURCE3 3 0.0311
bond_coeff @bond:s-sh harmonic 142.0 2.1100 # SOURCE3 2 0.0000
bond_coeff @bond:s-ss harmonic 148.5 2.0890 # SOURCE3 1 0.0000
bond_coeff @bond:ss-ss harmonic 161.7 2.0500 # SOURCE1 225 0.0015
bond_coeff @bond:sx-sx harmonic 80.9 2.3910 # SOURCE3 3 0.0185
bond_coeff @bond:sx-sy harmonic 105.3 2.2550 # SOURCE3 5 0.0737
bond_coeff @bond:sy-sy harmonic 106.4 2.2500 # SOURCE3 3 0.0289
bond_coeff @bond:br-cd harmonic 277.6 1.8847 # NEW 39
bond_coeff @bond:c1-cf harmonic 607.4 1.3153 # NEW 6
bond_coeff @bond:cd-f harmonic 368.6 1.3401 # NEW 24
bond_coeff @bond:cd-n4 harmonic 299.0 1.4930 # NEW 7
bond_coeff @bond:cd-nf harmonic 427.4 1.3790 # NEW 30
bond_coeff @bond:cd-no harmonic 367.4 1.4262 # NEW 133
bond_coeff @bond:cd-sh harmonic 257.9 1.7681 # NEW 8
bond_coeff @bond:cd-sx harmonic 231.3 1.8113 # NEW 16
bond_coeff @bond:cc-cy harmonic 330.9 1.5054 # NEW 10
bond_coeff @bond:cf-cl harmonic 292.6 1.7671 # NEW 24
bond_coeff @bond:cf-cx harmonic 337.0 1.4993 # NEW 5
bond_coeff @bond:cf-cy harmonic 323.0 1.5135 # NEW 17
bond_coeff @bond:cf-na harmonic 373.8 1.4207 # NEW 5
bond_coeff @bond:cf-ss harmonic 243.6 1.7906 # NEW 10
bond_coeff @bond:cq-na harmonic 420.5 1.3840 # NEW 7
bond_coeff @bond:cq-nb harmonic 486.7 1.3398 # NEW 70
} # (end of bond_coeffs)
write_once("Data Bonds By Type") {
@bond:ow-hw @atom:ow @atom:hw
@bond:hw-hw @atom:hw @atom:hw
@bond:br-br @atom:br @atom:br
@bond:br-c1 @atom:br @atom:c1
@bond:br-c2 @atom:br @atom:c2
@bond:br-c @atom:br @atom:c
@bond:br-c3 @atom:br @atom:c3
@bond:br-ca @atom:br @atom:ca
@bond:br-cc @atom:br @atom:cc
@bond:br-cx @atom:br @atom:cx
@bond:br-i @atom:br @atom:i
@bond:br-n1 @atom:br @atom:n1
@bond:br-n2 @atom:br @atom:n2
@bond:br-n @atom:br @atom:n
@bond:br-n3 @atom:br @atom:n3
@bond:br-n4 @atom:br @atom:n4
@bond:br-na @atom:br @atom:na
@bond:br-nh @atom:br @atom:nh
@bond:br-no @atom:br @atom:no
@bond:br-o @atom:br @atom:o
@bond:br-oh @atom:br @atom:oh
@bond:br-os @atom:br @atom:os
@bond:br-p2 @atom:br @atom:p2
@bond:br-p3 @atom:br @atom:p3
@bond:br-p4 @atom:br @atom:p4
@bond:br-p5 @atom:br @atom:p5
@bond:br-s @atom:br @atom:s
@bond:br-s4 @atom:br @atom:s4
@bond:br-s6 @atom:br @atom:s6
@bond:br-sh @atom:br @atom:sh
@bond:br-ss @atom:br @atom:ss
@bond:c1-c1 @atom:c1 @atom:c1
@bond:c1-c2 @atom:c1 @atom:c2
@bond:c1-c3 @atom:c1 @atom:c3
@bond:c1-ca @atom:c1 @atom:ca
@bond:c1-ce @atom:c1 @atom:ce
@bond:c1-cg @atom:c1 @atom:cg
@bond:c1-ch @atom:c1 @atom:ch
@bond:c1-cl @atom:c1 @atom:cl
@bond:c1-cx @atom:c1 @atom:cx
@bond:c1-f @atom:c1 @atom:f
@bond:c1-ha @atom:c1 @atom:ha
@bond:c1-hc @atom:c1 @atom:hc
@bond:c1-i @atom:c1 @atom:i
@bond:c1-n1 @atom:c1 @atom:n1
@bond:c1-n2 @atom:c1 @atom:n2
@bond:c1-n3 @atom:c1 @atom:n3
@bond:c1-n4 @atom:c1 @atom:n4
@bond:c1-n @atom:c1 @atom:n
@bond:c1-na @atom:c1 @atom:na
@bond:c1-ne @atom:c1 @atom:ne
@bond:c1-nf @atom:c1 @atom:nf
@bond:c1-nh @atom:c1 @atom:nh
@bond:c1-no @atom:c1 @atom:no
@bond:c1-o @atom:c1 @atom:o
@bond:c1-oh @atom:c1 @atom:oh
@bond:c1-os @atom:c1 @atom:os
@bond:c1-p2 @atom:c1 @atom:p2
@bond:c1-p3 @atom:c1 @atom:p3
@bond:c1-p4 @atom:c1 @atom:p4
@bond:c1-p5 @atom:c1 @atom:p5
@bond:c1-s2 @atom:c1 @atom:s2
@bond:c1-s @atom:c1 @atom:s
@bond:c1-s4 @atom:c1 @atom:s4
@bond:c1-s6 @atom:c1 @atom:s6
@bond:c1-sh @atom:c1 @atom:sh
@bond:c1-ss @atom:c1 @atom:ss
@bond:c2-c2 @atom:c2 @atom:c2
@bond:c2-c3 @atom:c2 @atom:c3
@bond:c2-ca @atom:c2 @atom:ca
@bond:c2-cc @atom:c2 @atom:cc
@bond:c2-cd @atom:c2 @atom:cd
@bond:c2-ce @atom:c2 @atom:ce
@bond:c2-cf @atom:c2 @atom:cf
@bond:c2-cl @atom:c2 @atom:cl
@bond:c2-cu @atom:c2 @atom:cu
@bond:c2-cx @atom:c2 @atom:cx
@bond:c2-cy @atom:c2 @atom:cy
@bond:c2-f @atom:c2 @atom:f
@bond:c2-h4 @atom:c2 @atom:h4
@bond:c2-h5 @atom:c2 @atom:h5
@bond:c2-ha @atom:c2 @atom:ha
@bond:c2-hc @atom:c2 @atom:hc
@bond:c2-hx @atom:c2 @atom:hx
@bond:c2-i @atom:c2 @atom:i
@bond:c2-n1 @atom:c2 @atom:n1
@bond:c2-n2 @atom:c2 @atom:n2
@bond:c2-n3 @atom:c2 @atom:n3
@bond:c2-n @atom:c2 @atom:n
@bond:c2-n4 @atom:c2 @atom:n4
@bond:c2-na @atom:c2 @atom:na
@bond:c2-nc @atom:c2 @atom:nc
@bond:c2-nd @atom:c2 @atom:nd
@bond:c2-ne @atom:c2 @atom:ne
@bond:c2-nf @atom:c2 @atom:nf
@bond:c2-nh @atom:c2 @atom:nh
@bond:c2-no @atom:c2 @atom:no
@bond:c2-o @atom:c2 @atom:o
@bond:c2-oh @atom:c2 @atom:oh
@bond:c2-os @atom:c2 @atom:os
@bond:c2-p2 @atom:c2 @atom:p2
@bond:c2-p3 @atom:c2 @atom:p3
@bond:c2-p4 @atom:c2 @atom:p4
@bond:c2-p5 @atom:c2 @atom:p5
@bond:c2-pe @atom:c2 @atom:pe
@bond:c2-pf @atom:c2 @atom:pf
@bond:c2-s2 @atom:c2 @atom:s2
@bond:c2-s @atom:c2 @atom:s
@bond:c2-s4 @atom:c2 @atom:s4
@bond:c2-s6 @atom:c2 @atom:s6
@bond:c2-sh @atom:c2 @atom:sh
@bond:c2-ss @atom:c2 @atom:ss
@bond:c3-c3 @atom:c3 @atom:c3
@bond:c3-ca @atom:c3 @atom:ca
@bond:c3-cc @atom:c3 @atom:cc
@bond:c3-cd @atom:c3 @atom:cd
@bond:c3-ce @atom:c3 @atom:ce
@bond:c3-cf @atom:c3 @atom:cf
@bond:c3-cl @atom:c3 @atom:cl
@bond:c3-cu @atom:c3 @atom:cu
@bond:c3-cv @atom:c3 @atom:cv
@bond:c3-cx @atom:c3 @atom:cx
@bond:c3-cy @atom:c3 @atom:cy
@bond:c3-f @atom:c3 @atom:f
@bond:c3-h1 @atom:c3 @atom:h1
@bond:c3-h2 @atom:c3 @atom:h2
@bond:c3-h3 @atom:c3 @atom:h3
@bond:c3-hc @atom:c3 @atom:hc
@bond:c3-hx @atom:c3 @atom:hx
@bond:c3-i @atom:c3 @atom:i
@bond:c3-n1 @atom:c3 @atom:n1
@bond:c3-n2 @atom:c3 @atom:n2
@bond:c3-n @atom:c3 @atom:n
@bond:c3-n3 @atom:c3 @atom:n3
@bond:c3-n4 @atom:c3 @atom:n4
@bond:c3-na @atom:c3 @atom:na
@bond:c3-nc @atom:c3 @atom:nc
@bond:c3-nd @atom:c3 @atom:nd
@bond:c3-nh @atom:c3 @atom:nh
@bond:c3-no @atom:c3 @atom:no
@bond:c3-o @atom:c3 @atom:o
@bond:c3-oh @atom:c3 @atom:oh
@bond:c3-os @atom:c3 @atom:os
@bond:c3-p2 @atom:c3 @atom:p2
@bond:c3-p3 @atom:c3 @atom:p3
@bond:c3-p4 @atom:c3 @atom:p4
@bond:c3-p5 @atom:c3 @atom:p5
@bond:c3-px @atom:c3 @atom:px
@bond:c3-py @atom:c3 @atom:py
@bond:c3-s @atom:c3 @atom:s
@bond:c3-s4 @atom:c3 @atom:s4
@bond:c3-s6 @atom:c3 @atom:s6
@bond:c3-sh @atom:c3 @atom:sh
@bond:c3-ss @atom:c3 @atom:ss
@bond:c3-sx @atom:c3 @atom:sx
@bond:c3-sy @atom:c3 @atom:sy
@bond:ca-ca @atom:ca @atom:ca
@bond:ca-cc @atom:ca @atom:cc
@bond:ca-cd @atom:ca @atom:cd
@bond:ca-ce @atom:ca @atom:ce
@bond:ca-cf @atom:ca @atom:cf
@bond:ca-cg @atom:ca @atom:cg
@bond:ca-ch @atom:ca @atom:ch
@bond:ca-cl @atom:ca @atom:cl
@bond:ca-cp @atom:ca @atom:cp
@bond:ca-cq @atom:ca @atom:cq
@bond:ca-cx @atom:ca @atom:cx
@bond:ca-cy @atom:ca @atom:cy
@bond:ca-f @atom:ca @atom:f
@bond:ca-h4 @atom:ca @atom:h4
@bond:ca-h5 @atom:ca @atom:h5
@bond:ca-ha @atom:ca @atom:ha
@bond:ca-i @atom:ca @atom:i
@bond:ca-n1 @atom:ca @atom:n1
@bond:ca-n2 @atom:ca @atom:n2
@bond:ca-n @atom:ca @atom:n
@bond:ca-n4 @atom:ca @atom:n4
@bond:ca-na @atom:ca @atom:na
@bond:ca-nb @atom:ca @atom:nb
@bond:ca-nc @atom:ca @atom:nc
@bond:ca-nd @atom:ca @atom:nd
@bond:ca-ne @atom:ca @atom:ne
@bond:ca-nf @atom:ca @atom:nf
@bond:ca-nh @atom:ca @atom:nh
@bond:ca-no @atom:ca @atom:no
@bond:ca-o @atom:ca @atom:o
@bond:ca-oh @atom:ca @atom:oh
@bond:ca-os @atom:ca @atom:os
@bond:ca-p2 @atom:ca @atom:p2
@bond:ca-p3 @atom:ca @atom:p3
@bond:ca-p4 @atom:ca @atom:p4
@bond:ca-p5 @atom:ca @atom:p5
@bond:ca-pe @atom:ca @atom:pe
@bond:ca-pf @atom:ca @atom:pf
@bond:ca-px @atom:ca @atom:px
@bond:ca-py @atom:ca @atom:py
@bond:ca-s @atom:ca @atom:s
@bond:ca-s4 @atom:ca @atom:s4
@bond:ca-s6 @atom:ca @atom:s6
@bond:ca-sh @atom:ca @atom:sh
@bond:ca-ss @atom:ca @atom:ss
@bond:ca-sx @atom:ca @atom:sx
@bond:ca-sy @atom:ca @atom:sy
@bond:c-c1 @atom:c @atom:c1
@bond:c-c2 @atom:c @atom:c2
@bond:c-c @atom:c @atom:c
@bond:c-c3 @atom:c @atom:c3
@bond:c-ca @atom:c @atom:ca
@bond:c-cc @atom:c @atom:cc
@bond:cc-cc @atom:cc @atom:cc
@bond:cc-cd @atom:cc @atom:cd
@bond:cc-ce @atom:cc @atom:ce
@bond:cc-cf @atom:cc @atom:cf
@bond:cc-cg @atom:cc @atom:cg
@bond:cc-ch @atom:cc @atom:ch
@bond:cc-cl @atom:cc @atom:cl
@bond:cc-cx @atom:cc @atom:cx
@bond:c-cd @atom:c @atom:cd
@bond:c-ce @atom:c @atom:ce
@bond:c-cf @atom:c @atom:cf
@bond:cc-f @atom:cc @atom:f
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@bond:o-pf @atom:o @atom:pf
@bond:o-px @atom:o @atom:px
@bond:o-py @atom:o @atom:py
@bond:o-s @atom:o @atom:s
@bond:o-s2 @atom:o @atom:s2
@bond:o-s4 @atom:o @atom:s4
@bond:o-s6 @atom:o @atom:s6
@bond:o-sh @atom:o @atom:sh
@bond:os-os @atom:os @atom:os
@bond:os-p2 @atom:os @atom:p2
@bond:os-p3 @atom:os @atom:p3
@bond:os-p4 @atom:os @atom:p4
@bond:os-p5 @atom:os @atom:p5
@bond:os-py @atom:os @atom:py
@bond:os-s @atom:os @atom:s
@bond:o-ss @atom:o @atom:ss
@bond:os-s4 @atom:os @atom:s4
@bond:os-s6 @atom:os @atom:s6
@bond:os-sh @atom:os @atom:sh
@bond:os-ss @atom:os @atom:ss
@bond:os-sy @atom:os @atom:sy
@bond:o-sx @atom:o @atom:sx
@bond:o-sy @atom:o @atom:sy
@bond:p2-p2 @atom:p2 @atom:p2
@bond:p2-p3 @atom:p2 @atom:p3
@bond:p2-p4 @atom:p2 @atom:p4
@bond:p2-p5 @atom:p2 @atom:p5
@bond:p2-pe @atom:p2 @atom:pe
@bond:p2-pf @atom:p2 @atom:pf
@bond:p2-s @atom:p2 @atom:s
@bond:p2-s4 @atom:p2 @atom:s4
@bond:p2-s6 @atom:p2 @atom:s6
@bond:p2-sh @atom:p2 @atom:sh
@bond:p2-ss @atom:p2 @atom:ss
@bond:p3-p3 @atom:p3 @atom:p3
@bond:p3-p4 @atom:p3 @atom:p4
@bond:p3-p5 @atom:p3 @atom:p5
@bond:p3-s @atom:p3 @atom:s
@bond:p3-s4 @atom:p3 @atom:s4
@bond:p3-s6 @atom:p3 @atom:s6
@bond:p3-sh @atom:p3 @atom:sh
@bond:p3-ss @atom:p3 @atom:ss
@bond:p4-p4 @atom:p4 @atom:p4
@bond:p4-p5 @atom:p4 @atom:p5
@bond:p4-s @atom:p4 @atom:s
@bond:p4-s4 @atom:p4 @atom:s4
@bond:p4-s6 @atom:p4 @atom:s6
@bond:p4-sh @atom:p4 @atom:sh
@bond:p4-ss @atom:p4 @atom:ss
@bond:p5-p5 @atom:p5 @atom:p5
@bond:p5-s @atom:p5 @atom:s
@bond:p5-s4 @atom:p5 @atom:s4
@bond:p5-s6 @atom:p5 @atom:s6
@bond:p5-sh @atom:p5 @atom:sh
@bond:p5-ss @atom:p5 @atom:ss
@bond:pe-pe @atom:pe @atom:pe
@bond:pe-pf @atom:pe @atom:pf
@bond:pe-px @atom:pe @atom:px
@bond:pe-py @atom:pe @atom:py
@bond:pe-s @atom:pe @atom:s
@bond:pe-sx @atom:pe @atom:sx
@bond:pe-sy @atom:pe @atom:sy
@bond:pf-pf @atom:pf @atom:pf
@bond:pf-px @atom:pf @atom:px
@bond:pf-py @atom:pf @atom:py
@bond:pf-s @atom:pf @atom:s
@bond:pf-sx @atom:pf @atom:sx
@bond:pf-sy @atom:pf @atom:sy
@bond:px-py @atom:px @atom:py
@bond:px-sx @atom:px @atom:sx
@bond:px-sy @atom:px @atom:sy
@bond:py-py @atom:py @atom:py
@bond:py-sx @atom:py @atom:sx
@bond:py-sy @atom:py @atom:sy
@bond:s4-s4 @atom:s4 @atom:s4
@bond:s4-s6 @atom:s4 @atom:s6
@bond:s4-sh @atom:s4 @atom:sh
@bond:s4-ss @atom:s4 @atom:ss
@bond:s6-s6 @atom:s6 @atom:s6
@bond:s6-sh @atom:s6 @atom:sh
@bond:s6-ss @atom:s6 @atom:ss
@bond:sh-sh @atom:sh @atom:sh
@bond:sh-ss @atom:sh @atom:ss
@bond:s-s @atom:s @atom:s
@bond:s-s2 @atom:s @atom:s2
@bond:s-s4 @atom:s @atom:s4
@bond:s-s6 @atom:s @atom:s6
@bond:s-sh @atom:s @atom:sh
@bond:s-ss @atom:s @atom:ss
@bond:ss-ss @atom:ss @atom:ss
@bond:sx-sx @atom:sx @atom:sx
@bond:sx-sy @atom:sx @atom:sy
@bond:sy-sy @atom:sy @atom:sy
@bond:br-cd @atom:br @atom:cd
@bond:c1-cf @atom:c1 @atom:cf
@bond:cd-f @atom:cd @atom:f
@bond:cd-n4 @atom:cd @atom:n4
@bond:cd-nf @atom:cd @atom:nf
@bond:cd-no @atom:cd @atom:no
@bond:cd-sh @atom:cd @atom:sh
@bond:cd-sx @atom:cd @atom:sx
@bond:cc-cy @atom:cc @atom:cy
@bond:cf-cl @atom:cf @atom:cl
@bond:cf-cx @atom:cf @atom:cx
@bond:cf-cy @atom:cf @atom:cy
@bond:cf-na @atom:cf @atom:na
@bond:cf-ss @atom:cf @atom:ss
@bond:cq-na @atom:cq @atom:na
@bond:cq-nb @atom:cq @atom:nb
} # (end of Bonds By Type)
write_once("In Settings") {
angle_coeff @angle:hw-ow-hw harmonic 100.00 104.52 # AMBER 1 TIP3P_water
angle_coeff @angle:hw-hw-ow harmonic 0.00 127.74 # AMBER 1 (found_in_crystallographic_water_with_3_bonds)
angle_coeff @angle:br-c1-br harmonic 57.76 180.00 # Guess 0
angle_coeff @angle:br-c1-c1 harmonic 54.93 180.00 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-c1 harmonic 64.41 180.00 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-c2 harmonic 60.84 180.00 # SOURCE3 2 0.0000
angle_coeff @angle:c1-c1-c3 harmonic 56.28 178.46 # SOURCE4 188 0.6631
angle_coeff @angle:c1-c1-ca harmonic 56.92 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-cl harmonic 51.40 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-f harmonic 61.02 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-ha harmonic 44.84 178.38 # SOURCE3 41 2.0683
angle_coeff @angle:c1-c1-hc harmonic 44.73 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-i harmonic 49.80 180.00 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-n1 harmonic 67.17 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-n2 harmonic 65.17 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-n3 harmonic 59.77 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-n4 harmonic 59.09 179.56 # SOURCE3 3 0.3096
angle_coeff @angle:c1-c1-n harmonic 62.13 177.18 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-na harmonic 61.23 176.75 # SOURCE3 8 2.9328
angle_coeff @angle:c1-c1-nh harmonic 61.44 179.27 # SOURCE3 3 0.2357
angle_coeff @angle:c1-c1-no harmonic 59.38 180.00 # SOURCE3 3 0.0000
angle_coeff @angle:c1-c1-o harmonic 66.79 180.00 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-oh harmonic 62.70 176.65 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-os harmonic 62.77 176.42 # SOURCE3 2 0.0000
angle_coeff @angle:c1-c1-p2 harmonic 65.19 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-p3 harmonic 66.41 169.63 # SOURCE3 2 0.0000
angle_coeff @angle:c1-c1-p4 harmonic 64.47 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-p5 harmonic 66.52 176.17 # SOURCE3 2 0.0000
angle_coeff @angle:c1-c1-s4 harmonic 54.12 167.47 # SOURCE3 2 0.0000
angle_coeff @angle:c1-c1-s6 harmonic 53.74 174.38 # SOURCE3 2 0.0000
angle_coeff @angle:c1-c1-s harmonic 55.65 179.97 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c1-sh harmonic 54.14 180.00 # SOURCE3 1
angle_coeff @angle:c1-c1-ss harmonic 55.22 173.22 # SOURCE3 2 0.0000
angle_coeff @angle:c2-c1-c2 harmonic 58.20 180.00 # SOURCE3 1 0.0000
angle_coeff @angle:c2-c1-ce harmonic 58.18 179.01 # SOURCE4 6 0.4656
angle_coeff @angle:c2-c1-n1 harmonic 63.14 180.00 # HF/6-31G* 1
angle_coeff @angle:c2-c1-o harmonic 63.07 179.50 # SOURCE2 1 0.0000
angle_coeff @angle:c2-c1-s2 harmonic 56.73 172.98 # SOURCE3 1 0.0000
angle_coeff @angle:c3-c1-c3 harmonic 51.75 180.00 # Guess 0
angle_coeff @angle:c3-c1-cg harmonic 55.79 178.52 # SOURCE4 39 0.5063
angle_coeff @angle:c3-c1-n1 harmonic 58.10 178.50 # SOURCE4 77 0.5443
angle_coeff @angle:ca-c1-ca harmonic 52.83 180.00 # Guess 0
angle_coeff @angle:c-c1-c1 harmonic 56.33 180.00 # SOURCE3 1
angle_coeff @angle:cg-c1-ha harmonic 43.98 177.41 # SOURCE3 22 2.4947
angle_coeff @angle:ch-c1-ha harmonic 43.98 177.41 # SOURCE3 22 same_as_cg-c1-ha
angle_coeff @angle:cl-c1-cl harmonic 46.64 180.00 # Guess 0
angle_coeff @angle:f-c1-f harmonic 58.19 180.00 # Guess 0
angle_coeff @angle:i-c1-i harmonic 53.41 180.00 # Guess 0
angle_coeff @angle:n1-c1-n1 harmonic 93.20 102.01 # SOURCE3 1
angle_coeff @angle:n1-c1-n3 harmonic 63.71 169.70 # SOURCE2 1 0.0000
angle_coeff @angle:n1-c1-nh harmonic 64.02 177.43 # SOURCE4 7 0.7877
angle_coeff @angle:n1-c1-os harmonic 64.72 178.59 # SOURCE3 1 0.0000
angle_coeff @angle:n1-c1-p3 harmonic 67.69 171.20 # SOURCE2 1 0.0000
angle_coeff @angle:n1-c1-ss harmonic 55.82 178.68 # SOURCE3 1 0.0000
angle_coeff @angle:n2-c1-n2 harmonic 65.99 180.00 # Guess 0
angle_coeff @angle:n2-c1-o harmonic 69.15 171.79 # SOURCE3 2 0.3594
angle_coeff @angle:n2-c1-s harmonic 57.48 176.01 # SOURCE4 9 0.1123
angle_coeff @angle:n3-c1-n3 harmonic 57.36 180.00 # Guess 0
angle_coeff @angle:n4-c1-n4 harmonic 56.35 180.00 # Guess 0
angle_coeff @angle:na-c1-na harmonic 58.62 180.00 # Guess 0
angle_coeff @angle:ne-c1-o harmonic 69.39 172.33 # SOURCE3 1 0.0000
angle_coeff @angle:ne-c1-s harmonic 57.59 175.81 # SOURCE4 8 0.2356
angle_coeff @angle:nf-c1-o harmonic 69.39 172.33 # SOURCE3 1 same_as_ne-c1-o
angle_coeff @angle:nh-c1-nh harmonic 59.55 180.00 # Guess 0
angle_coeff @angle:n-c1-n harmonic 60.03 180.00 # Guess 0
angle_coeff @angle:no-c1-no harmonic 56.83 180.00 # Guess 0
angle_coeff @angle:oh-c1-oh harmonic 60.91 180.00 # Guess 0
angle_coeff @angle:o-c1-o harmonic 69.27 180.00 # Guess 0
angle_coeff @angle:os-c1-os harmonic 60.96 180.00 # Guess 0
angle_coeff @angle:p2-c1-p2 harmonic 80.59 180.00 # Guess 0
angle_coeff @angle:p3-c1-p3 harmonic 79.69 180.00 # Guess 0
angle_coeff @angle:p4-c1-p4 harmonic 79.69 180.00 # Guess 0
angle_coeff @angle:p5-c1-p5 harmonic 81.37 180.00 # Guess 0
angle_coeff @angle:s2-c1-s2 harmonic 55.83 180.00 # Guess 0
angle_coeff @angle:s4-c1-s4 harmonic 51.00 180.00 # Guess 0
angle_coeff @angle:s6-c1-s6 harmonic 51.72 180.00 # Guess 0
angle_coeff @angle:sh-c1-sh harmonic 53.01 180.00 # Guess 0
angle_coeff @angle:s-c1-s harmonic 54.63 180.00 # Guess 0
angle_coeff @angle:ss-c1-ss harmonic 53.04 180.00 # Guess 0
angle_coeff @angle:br-c2-br harmonic 68.56 115.06 # SOURCE3 1 0.0000
angle_coeff @angle:br-c2-c2 harmonic 63.97 118.96 # SOURCE4 6 0.4902
angle_coeff @angle:br-c2-c3 harmonic 63.71 115.33 # SOURCE4 6 0.5872
angle_coeff @angle:br-c2-ce harmonic 63.21 121.59 # SOURCE4 7 0.7078
angle_coeff @angle:br-c2-h4 harmonic 43.04 113.94 # SOURCE4 6 0.4017
angle_coeff @angle:br-c2-ha harmonic 43.18 113.28 # SOURCE3 1 0.0000
angle_coeff @angle:c1-c2-c1 harmonic 72.26 116.77 # SOURCE3 1
angle_coeff @angle:c1-c2-c2 harmonic 70.34 121.62 # SOURCE3 1
angle_coeff @angle:c1-c2-c3 harmonic 64.22 124.92 # SOURCE4 17 0.7576
angle_coeff @angle:c1-c2-f harmonic 67.99 124.90 # SOURCE2 1 0.0000
angle_coeff @angle:c1-c2-ha harmonic 50.43 121.37 # SOURCE3 8 0.0055
angle_coeff @angle:c2-c2-c2 harmonic 69.84 121.81 # SOURCE3 10 0.3843
angle_coeff @angle:c2-c2-c3 harmonic 64.33 123.42 # SOURCE3 41 2.6057
angle_coeff @angle:c2-c2-ca harmonic 66.88 117.00 # SOURCE3 1
angle_coeff @angle:c2-c2-cc harmonic 70.22 117.21 # SOURCE3 2 0.3418
angle_coeff @angle:c2-c2-cd harmonic 70.22 117.21 # SOURCE3 2 same_as_c2-c2-cc
angle_coeff @angle:c2-c2-cl harmonic 58.43 122.85 # SOURCE4 23 0.6711
angle_coeff @angle:c2-c2-cx harmonic 64.50 125.40 # SOURCE4 12 1.8494
angle_coeff @angle:c2-c2-cy harmonic 70.42 103.30 # SOURCE2 1 0.0000
angle_coeff @angle:c2-c2-f harmonic 68.11 122.92 # SOURCE4 12 0.5301
angle_coeff @angle:c2-c2-h4 harmonic 49.75 122.54 # SOURCE4 69 1.1900
angle_coeff @angle:c2-c2-ha harmonic 50.04 120.94 # SOURCE3 254 1.3150
angle_coeff @angle:c2-c2-hc harmonic 50.30 119.70 # SOURCE3 1
angle_coeff @angle:c2-c2-hx harmonic 48.98 126.45 # SOURCE3 3 0.0219
angle_coeff @angle:c2-c2-i harmonic 56.28 121.03 # SOURCE3 2 0.0000
angle_coeff @angle:c2-c2-n1 harmonic 71.69 122.98 # HF/6-31G* 1
angle_coeff @angle:c2-c2-n2 harmonic 71.29 126.01 # SOURCE3 1 0.0000
angle_coeff @angle:c2-c2-n3 harmonic 70.33 124.55 # SOURCE3 1
angle_coeff @angle:c2-c2-n4 harmonic 67.18 121.52 # SOURCE3 5 1.2656
angle_coeff @angle:c2-c2-n harmonic 68.86 123.20 # SOURCE4 15 1.8657
angle_coeff @angle:c2-c2-na harmonic 69.83 121.38 # SOURCE3 26 6.9463
angle_coeff @angle:c2-c2-nh harmonic 69.80 124.99 # SOURCE3 7 0.9929
angle_coeff @angle:c2-c2-no harmonic 67.52 124.09 # SOURCE4 6 1.2772
angle_coeff @angle:c2-c2-o harmonic 71.92 130.89 # SOURCE3 2 0.0201
angle_coeff @angle:c2-c2-oh harmonic 71.64 122.07 # SOURCE4 6 1.0883
angle_coeff @angle:c2-c2-os harmonic 71.04 121.89 # SOURCE4 33 1.3457
angle_coeff @angle:c2-c2-p2 harmonic 84.73 115.10 # SOURCE3 1
angle_coeff @angle:c2-c2-p3 harmonic 75.19 124.83 # SOURCE3 5 2.1222
angle_coeff @angle:c2-c2-p4 harmonic 77.22 119.76 # SOURCE3 1
angle_coeff @angle:c2-c2-p5 harmonic 73.70 125.97 # SOURCE3 1
angle_coeff @angle:c2-c2-s4 harmonic 62.85 119.84 # SOURCE3 1
angle_coeff @angle:c2-c2-s6 harmonic 62.81 120.01 # SOURCE3 1
angle_coeff @angle:c2-c2-s harmonic 61.25 129.37 # SOURCE3 2 0.0000
angle_coeff @angle:c2-c2-sh harmonic 60.87 125.70 # SOURCE3 3 1.3390
angle_coeff @angle:c2-c2-ss harmonic 62.79 122.86 # SOURCE4 13 1.7467
angle_coeff @angle:c3-c2-c3 harmonic 62.70 116.52 # SOURCE3 15 3.1001
angle_coeff @angle:c3-c2-cc harmonic 63.22 125.39 # CORR 27
angle_coeff @angle:c3-c2-cd harmonic 63.22 125.39 # CORR 27
angle_coeff @angle:c3-c2-ce harmonic 64.17 123.08 # CORR 1288
angle_coeff @angle:c3-c2-cf harmonic 64.17 123.08 # CORR 1288
angle_coeff @angle:c3-c2-h4 harmonic 45.30 119.25 # SOURCE4 22 2.1707
angle_coeff @angle:c3-c2-ha harmonic 45.66 117.30 # SOURCE3 33 1.7453
angle_coeff @angle:c3-c2-hc harmonic 45.15 120.00 # SOURCE3 1
angle_coeff @angle:c3-c2-n2 harmonic 66.47 123.52 # SOURCE4 141 2.2935
angle_coeff @angle:c3-c2-n harmonic 66.79 114.80 # SOURCE4 12 1.8112
angle_coeff @angle:c3-c2-na harmonic 64.95 122.54 # SOURCE3 1 0.0000
angle_coeff @angle:c3-c2-ne harmonic 66.96 122.15 # SOURCE3 4 0.2197
angle_coeff @angle:c3-c2-nf harmonic 66.96 122.15 # SOURCE3 4 same_as_c3-c2-ne
angle_coeff @angle:c3-c2-nh harmonic 66.69 118.59 # SOURCE3 6 2.2622
angle_coeff @angle:c3-c2-o harmonic 67.88 123.18 # SOURCE4 5 0.9226
angle_coeff @angle:c3-c2-oh harmonic 68.50 115.04 # SOURCE4 36 2.0110
angle_coeff @angle:c3-c2-os harmonic 68.77 112.69 # SOURCE4 50 2.4254
angle_coeff @angle:c3-c2-p2 harmonic 78.98 122.74 # SOURCE3 2 0.0000
angle_coeff @angle:c3-c2-s harmonic 62.79 115.44 # SOURCE3 2 0.0115
angle_coeff @angle:c3-c2-ss harmonic 61.62 119.66 # SOURCE4 45 1.9732
angle_coeff @angle:ca-c2-ca harmonic 63.51 117.88 # SOURCE3 1
angle_coeff @angle:ca-c2-hc harmonic 45.28 123.30 # SOURCE3 1
angle_coeff @angle:c-c2-c2 harmonic 67.93 120.70 # SOURCE3 1
angle_coeff @angle:c-c2-c3 harmonic 63.87 119.70 # SOURCE3 1
angle_coeff @angle:c-c2-c harmonic 66.57 118.88 # SOURCE3 1
angle_coeff @angle:cc-c2-h4 harmonic 49.19 120.33 # SOURCE4 7 0.0865
angle_coeff @angle:cc-c2-ha harmonic 49.07 120.76 # SOURCE3 11 1.4155
angle_coeff @angle:cc-c2-nh harmonic 69.46 122.96 # SOURCE4 10 0.7347
angle_coeff @angle:cc-c2-o harmonic 72.80 123.59 # SOURCE4 6 0.0560
angle_coeff @angle:cd-c2-ha harmonic 49.07 120.76 # SOURCE3 11 1.4155
angle_coeff @angle:ce-c2-cl harmonic 58.06 123.90 # SOURCE4 11 0.3570
angle_coeff @angle:ce-c2-h4 harmonic 49.38 122.29 # SOURCE4 75 1.4008
angle_coeff @angle:ce-c2-ha harmonic 49.57 121.19 # SOURCE3 122 0.5318
angle_coeff @angle:ce-c2-na harmonic 68.82 123.71 # SOURCE4 6 2.0109
angle_coeff @angle:ce-c2-nh harmonic 70.64 120.72 # SOURCE4 93 2.2537
angle_coeff @angle:ce-c2-no harmonic 68.45 119.65 # SOURCE4 5 0.9817
angle_coeff @angle:ce-c2-o harmonic 73.66 123.08 # SOURCE4 5 0.2391
angle_coeff @angle:ce-c2-oh harmonic 70.90 123.27 # SOURCE4 42 1.8111
angle_coeff @angle:ce-c2-os harmonic 70.47 122.52 # SOURCE4 51 2.4680
angle_coeff @angle:cf-c2-ha harmonic 49.57 121.19 # SOURCE3 122 same_as_ce-c2-ha
angle_coeff @angle:c-c2-ha harmonic 47.67 121.33 # SOURCE3 4 0.2462
angle_coeff @angle:c-c2-hc harmonic 48.00 119.70 # SOURCE3 1
angle_coeff @angle:cl-c2-cl harmonic 55.44 114.27 # SOURCE4 10 0.5850
angle_coeff @angle:cl-c2-h4 harmonic 40.76 113.77 # SOURCE4 9 0.6228
angle_coeff @angle:cl-c2-ha harmonic 40.86 113.20 # SOURCE3 1 0.0000
angle_coeff @angle:cx-c2-ha harmonic 46.61 115.89 # SOURCE4 15 0.3682
angle_coeff @angle:f-c2-f harmonic 70.67 109.60 # SOURCE2 2 0.6000
angle_coeff @angle:f-c2-ha harmonic 51.25 110.00 # SOURCE2 1 0.0000
angle_coeff @angle:h4-c2-n2 harmonic 52.40 120.69 # SOURCE4 13 1.3105
angle_coeff @angle:h4-c2-n harmonic 50.48 113.57 # SOURCE4 26 1.0283
angle_coeff @angle:h4-c2-na harmonic 51.03 113.22 # SOURCE4 9 0.6345
angle_coeff @angle:h4-c2-ne harmonic 52.87 119.63 # SOURCE4 10 1.6786
angle_coeff @angle:h4-c2-nh harmonic 51.55 115.64 # SOURCE4 31 1.0081
angle_coeff @angle:h4-c2-no harmonic 49.39 113.38 # SOURCE4 6 0.1240
angle_coeff @angle:h4-c2-os harmonic 52.23 113.70 # SOURCE3 13 2.0464
angle_coeff @angle:h4-c2-ss harmonic 42.85 118.47 # SOURCE3 9 2.5335
angle_coeff @angle:h5-c2-n2 harmonic 52.41 120.16 # SOURCE4 27 1.8999
angle_coeff @angle:h5-c2-na harmonic 48.23 126.39 # SOURCE3 4 0.3299
angle_coeff @angle:h5-c2-ne harmonic 52.76 119.62 # SOURCE4 17 1.3235
angle_coeff @angle:h5-c2-nh harmonic 51.85 113.93 # SOURCE4 50 0.8394
angle_coeff @angle:ha-c2-ha harmonic 38.02 117.65 # SOURCE3 349 1.3426
angle_coeff @angle:ha-c2-n1 harmonic 51.83 120.76 # SOURCE3 8 0.6632
angle_coeff @angle:ha-c2-n2 harmonic 52.39 120.54 # SOURCE3 92 1.4571
angle_coeff @angle:ha-c2-n3 harmonic 52.44 113.54 # SOURCE3 1
angle_coeff @angle:ha-c2-n harmonic 50.49 113.40 # SOURCE3 4 1.2182
angle_coeff @angle:ha-c2-na harmonic 51.18 112.42 # SOURCE3 8 0.6507
angle_coeff @angle:ha-c2-ne harmonic 52.48 121.18 # SOURCE3 68 0.6824
angle_coeff @angle:ha-c2-nf harmonic 52.48 121.18 # SOURCE3 68 same_as_ha-c2-ne
angle_coeff @angle:ha-c2-nh harmonic 51.29 116.68 # SOURCE3 13 2.5734
angle_coeff @angle:ha-c2-no harmonic 49.64 112.14 # SOURCE3 2 0.0264
angle_coeff @angle:ha-c2-o harmonic 55.30 117.23 # SOURCE3 2 0.0201
angle_coeff @angle:ha-c2-oh harmonic 52.34 116.18 # SOURCE3 2 0.0000
angle_coeff @angle:ha-c2-os harmonic 52.43 112.69 # SOURCE3 13 2.5851
angle_coeff @angle:ha-c2-p2 harmonic 55.74 121.48 # SOURCE3 122 0.4329
angle_coeff @angle:ha-c2-p3 harmonic 52.04 114.31 # SOURCE3 3 0.0000
angle_coeff @angle:ha-c2-p4 harmonic 51.62 117.86 # SOURCE3 1
angle_coeff @angle:ha-c2-p5 harmonic 49.81 120.10 # SOURCE3 2 0.0000
angle_coeff @angle:ha-c2-pe harmonic 55.05 121.46 # SOURCE3 104 0.7821
angle_coeff @angle:ha-c2-pf harmonic 55.05 121.46 # SOURCE3 104 same_as_ha-c2-pe
angle_coeff @angle:ha-c2-s2 harmonic 46.19 118.74 # SOURCE3 2 0.0000
angle_coeff @angle:ha-c2-s4 harmonic 42.81 115.30 # SOURCE3 2 0.0000
angle_coeff @angle:ha-c2-s harmonic 43.42 115.70 # SOURCE3 2 0.0000
angle_coeff @angle:ha-c2-s6 harmonic 42.58 116.60 # SOURCE3 2 0.0000
angle_coeff @angle:ha-c2-sh harmonic 43.04 111.74 # SOURCE3 1 0.0000
angle_coeff @angle:ha-c2-ss harmonic 43.18 116.72 # SOURCE3 7 2.7543
angle_coeff @angle:hc-c2-hc harmonic 37.81 118.92 # SOURCE3 1
angle_coeff @angle:hc-c2-n2 harmonic 52.42 120.40 # SOURCE3 1
angle_coeff @angle:hc-c2-n harmonic 50.35 114.04 # SOURCE3 1
angle_coeff @angle:hc-c2-na harmonic 49.73 119.10 # SOURCE3 1
angle_coeff @angle:hc-c2-nh harmonic 52.03 113.36 # SOURCE3 1
angle_coeff @angle:hc-c2-no harmonic 49.64 112.12 # SOURCE3 1
angle_coeff @angle:hc-c2-oh harmonic 52.33 116.22 # SOURCE3 1
angle_coeff @angle:hc-c2-os harmonic 51.65 116.11 # SOURCE3 1
angle_coeff @angle:hc-c2-p3 harmonic 51.40 117.19 # SOURCE3 1
angle_coeff @angle:hc-c2-p5 harmonic 49.92 119.58 # SOURCE3 1
angle_coeff @angle:hc-c2-s4 harmonic 42.66 116.12 # SOURCE3 1
angle_coeff @angle:hc-c2-s6 harmonic 42.79 115.45 # SOURCE3 1
angle_coeff @angle:hc-c2-sh harmonic 42.31 115.63 # SOURCE3 1
angle_coeff @angle:hc-c2-ss harmonic 43.38 115.62 # SOURCE3 1
angle_coeff @angle:hx-c2-n4 harmonic 48.42 113.03 # SOURCE3 3 0.3873
angle_coeff @angle:i-c2-i harmonic 60.96 117.94 # SOURCE3 1 0.0000
angle_coeff @angle:n1-c2-n1 harmonic 73.61 124.15 # HF/6-31G* 1
angle_coeff @angle:n2-c2-n2 harmonic 77.96 113.82 # SOURCE3 1 0.0000
angle_coeff @angle:n2-c2-n4 harmonic 72.03 113.05 # SOURCE4 6 0.3318
angle_coeff @angle:n2-c2-na harmonic 71.71 123.62 # SOURCE3 1 0.0000
angle_coeff @angle:n2-c2-nh harmonic 72.62 124.27 # SOURCE3 12 2.4114
angle_coeff @angle:n2-c2-oh harmonic 74.36 122.08 # SOURCE3 1 0.0000
angle_coeff @angle:n2-c2-os harmonic 74.32 119.82 # SOURCE4 20 1.2664
angle_coeff @angle:n2-c2-ss harmonic 62.86 129.77 # SOURCE3 1 0.0000
angle_coeff @angle:n3-c2-n3 harmonic 73.45 118.47 # SOURCE3 1
angle_coeff @angle:n4-c2-n4 harmonic 67.72 113.93 # SOURCE3 1 0.0000
angle_coeff @angle:n4-c2-ss harmonic 64.40 116.26 # SOURCE4 7 2.4226
angle_coeff @angle:na-c2-na harmonic 73.65 109.33 # SOURCE3 3 3.0187
angle_coeff @angle:ne-c2-nh harmonic 73.03 123.56 # CORR 128
angle_coeff @angle:ne-c2-os harmonic 74.86 118.76 # SOURCE4 5 0.3382
angle_coeff @angle:ne-c2-ss harmonic 65.41 120.06 # SOURCE4 9 1.3423
angle_coeff @angle:nf-c2-nh harmonic 73.03 123.56 # CORR 128
angle_coeff @angle:nh-c2-nh harmonic 74.46 112.72 # SOURCE4 257 1.8176
angle_coeff @angle:nh-c2-oh harmonic 74.05 117.16 # SOURCE4 7 0.8698
angle_coeff @angle:nh-c2-os harmonic 74.32 114.29 # SOURCE4 18 1.0900
angle_coeff @angle:nh-c2-ss harmonic 67.23 111.55 # SOURCE4 37 1.1778
angle_coeff @angle:n-c2-n2 harmonic 70.56 125.95 # SOURCE3 2 5.0202
angle_coeff @angle:n-c2-n harmonic 71.55 113.23 # SOURCE3 1 0.0000
angle_coeff @angle:n-c2-na harmonic 74.57 105.42 # SOURCE3 1 0.0000
angle_coeff @angle:n-c2-ne harmonic 70.89 125.38 # SOURCE4 10 1.6819
angle_coeff @angle:n-c2-nh harmonic 74.20 109.14 # SOURCE4 22 1.5634
angle_coeff @angle:no-c2-no harmonic 69.43 113.90 # SOURCE3 1 0.0000
angle_coeff @angle:n-c2-ss harmonic 66.83 111.06 # SOURCE4 9 0.5522
angle_coeff @angle:oh-c2-oh harmonic 76.03 114.33 # SOURCE3 1 0.0000
angle_coeff @angle:o-c2-o harmonic 80.23 121.69 # SOURCE3 1
angle_coeff @angle:o-c2-oh harmonic 76.69 121.23 # SOURCE4 6 0.0958
angle_coeff @angle:o-c2-s harmonic 64.15 127.68 # SOURCE3 2 0.0547
angle_coeff @angle:os-c2-os harmonic 74.21 115.80 # SOURCE3 1 0.0000
angle_coeff @angle:p2-c2-p2 harmonic 100.59 129.80 # SOURCE3 1
angle_coeff @angle:p3-c2-p3 harmonic 97.08 115.54 # SOURCE3 1 0.0000
angle_coeff @angle:p5-c2-p5 harmonic 92.92 121.85 # SOURCE3 1
angle_coeff @angle:s4-c2-s4 harmonic 61.89 120.32 # SOURCE3 1
angle_coeff @angle:s4-c2-s6 harmonic 61.98 119.95 # SOURCE3 1
angle_coeff @angle:s6-c2-s6 harmonic 61.98 119.97 # SOURCE3 1
angle_coeff @angle:sh-c2-sh harmonic 63.96 110.48 # SOURCE3 1 0.0000
angle_coeff @angle:sh-c2-ss harmonic 62.65 117.82 # SOURCE3 1
angle_coeff @angle:s-c2-s harmonic 62.47 121.67 # SOURCE3 1
angle_coeff @angle:ss-c2-ss harmonic 62.77 120.24 # SOURCE3 1 0.0000
angle_coeff @angle:br-c3-br harmonic 67.46 109.03 # SOURCE4 6 0.5435
angle_coeff @angle:br-c3-c1 harmonic 62.77 111.80 # SOURCE2 3 0.2160
angle_coeff @angle:br-c3-c3 harmonic 63.03 109.25 # SOURCE3 10 0.5685
angle_coeff @angle:br-c3-c harmonic 62.92 110.37 # SOURCE4 13 2.4747
angle_coeff @angle:br-c3-h1 harmonic 43.12 103.04 # SOURCE3 5 0.3092
angle_coeff @angle:br-c3-h2 harmonic 42.34 107.10 # SOURCE4 7 0.2378
angle_coeff @angle:br-c3-hc harmonic 42.40 106.50 # SOURCE3 1
angle_coeff @angle:c1-c3-c1 harmonic 66.50 109.00 # SOURCE2 1 0.0000
angle_coeff @angle:c1-c3-c2 harmonic 65.00 111.11 # SOURCE4 12 0.7366
angle_coeff @angle:c1-c3-c3 harmonic 64.29 111.42 # SOURCE4 197 1.2106
angle_coeff @angle:c1-c3-ca harmonic 64.93 110.95 # SOURCE4 28 1.1203
angle_coeff @angle:c1-c3-cc harmonic 64.32 114.20 # CORR 13
angle_coeff @angle:c1-c3-cd harmonic 64.32 114.20 # CORR 13
angle_coeff @angle:c1-c3-cl harmonic 58.49 110.63 # SOURCE2 3 1.2257
angle_coeff @angle:c1-c3-h1 harmonic 48.35 109.29 # SOURCE4 133 0.5701
angle_coeff @angle:c1-c3-hc harmonic 48.25 109.75 # SOURCE3 12 0.8436
angle_coeff @angle:c1-c3-hx harmonic 47.76 112.05 # SOURCE4 17 0.2587
angle_coeff @angle:c1-c3-n3 harmonic 67.03 112.59 # SOURCE4 28 0.9555
angle_coeff @angle:c1-c3-n4 harmonic 66.53 112.04 # SOURCE4 11 0.5701
angle_coeff @angle:c1-c3-n harmonic 67.41 112.08 # SOURCE4 18 0.9568
angle_coeff @angle:c1-c3-nh harmonic 67.25 112.79 # SOURCE4 8 0.9453
angle_coeff @angle:c1-c3-oh harmonic 69.49 109.14 # SOURCE4 39 0.6500
angle_coeff @angle:c1-c3-os harmonic 69.27 108.88 # SOURCE4 31 0.9597
angle_coeff @angle:c2-c3-c2 harmonic 63.93 112.08 # SOURCE4 153 0.7742
angle_coeff @angle:c2-c3-c3 harmonic 63.53 111.44 # SOURCE4 2891 1.7167
angle_coeff @angle:c2-c3-ca harmonic 63.71 112.45 # SOURCE4 141 1.6755
angle_coeff @angle:c2-c3-cc harmonic 64.24 111.64 # CORR 32
angle_coeff @angle:c2-c3-cd harmonic 64.24 111.64 # CORR 32
angle_coeff @angle:c2-c3-ce harmonic 64.05 111.87 # CORR 38
angle_coeff @angle:c2-c3-cf harmonic 64.05 111.87 # CORR 38
angle_coeff @angle:c2-c3-cl harmonic 57.71 112.07 # SOURCE4 6 0.9936
angle_coeff @angle:c2-c3-cx harmonic 63.65 112.62 # SOURCE4 17 1.3287
angle_coeff @angle:c2-c3-cy harmonic 66.76 101.33 # SOURCE4 58 0.9262
angle_coeff @angle:c2-c3-f harmonic 66.52 110.96 # SOURCE4 25 0.2829
angle_coeff @angle:c2-c3-h1 harmonic 47.03 110.46 # SOURCE3 17 1.1525
angle_coeff @angle:c2-c3-h2 harmonic 46.84 111.19 # SOURCE4 17 0.8311
angle_coeff @angle:c2-c3-hc harmonic 47.03 110.49 # SOURCE3 159 0.7479
angle_coeff @angle:c2-c3-hx harmonic 46.83 111.45 # SOURCE4 20 0.9004
angle_coeff @angle:c2-c3-n2 harmonic 67.09 108.99 # SOURCE4 10 1.2025
angle_coeff @angle:c2-c3-n3 harmonic 66.47 111.52 # SOURCE4 158 1.4012
angle_coeff @angle:c2-c3-n harmonic 66.73 111.38 # SOURCE4 67 1.7559
angle_coeff @angle:c2-c3-na harmonic 66.24 113.30 # SOURCE4 27 1.2945
angle_coeff @angle:c2-c3-nh harmonic 67.10 110.27 # SOURCE4 56 1.8018
angle_coeff @angle:c2-c3-oh harmonic 68.18 110.21 # SOURCE4 220 1.4197
angle_coeff @angle:c2-c3-os harmonic 68.45 108.48 # SOURCE4 204 1.6082
angle_coeff @angle:c2-c3-s4 harmonic 62.57 109.73 # SOURCE4 6 0.1722
angle_coeff @angle:c2-c3-ss harmonic 63.62 104.97 # SOURCE3 2 2.2248
angle_coeff @angle:c3-c3-c3 harmonic 63.21 110.63 # SOURCE3 507 2.7845
angle_coeff @angle:c3-c3-ca harmonic 63.25 112.09 # SOURCE4 3859 1.5523
angle_coeff @angle:c3-c3-cc harmonic 63.58 111.89 # CORR 700
angle_coeff @angle:c3-c3-cd harmonic 63.58 111.89 # CORR 700
angle_coeff @angle:c3-c3-ce harmonic 63.70 111.06 # CORR 490
angle_coeff @angle:c3-c3-cf harmonic 63.70 111.06 # CORR 490
angle_coeff @angle:c3-c3-cl harmonic 57.85 110.33 # SOURCE3 20 1.1495
angle_coeff @angle:c3-c3-cx harmonic 63.30 111.82 # SOURCE4 179 2.4814
angle_coeff @angle:c3-c3-cy harmonic 63.63 109.62 # SOURCE3 5 2.0747
angle_coeff @angle:c3-c3-f harmonic 66.22 109.41 # SOURCE3 18 1.1878
angle_coeff @angle:c3-c3-h1 harmonic 46.36 110.07 # SOURCE3 457 1.1542
angle_coeff @angle:c3-c3-h2 harmonic 46.02 111.59 # SOURCE3 8 1.1217
angle_coeff @angle:c3-c3-hc harmonic 46.37 110.05 # SOURCE3 2092 0.6991
angle_coeff @angle:c3-c3-hx harmonic 46.02 111.74 # SOURCE3 15 1.2365
angle_coeff @angle:c3-c3-i harmonic 58.48 110.96 # SOURCE3 2 0.0000
angle_coeff @angle:c3-c3-n1 harmonic 66.64 108.86 # SOURCE4 9 0.8093
angle_coeff @angle:c3-c3-n2 harmonic 66.40 109.16 # SOURCE3 8 1.4079
angle_coeff @angle:c3-c3-n3 harmonic 66.18 110.38 # SOURCE3 69 2.9054
angle_coeff @angle:c3-c3-n4 harmonic 64.45 114.32 # SOURCE4 567 2.4412
angle_coeff @angle:c3-c3-n harmonic 65.85 112.13 # SOURCE3 31 2.0700
angle_coeff @angle:c3-c3-na harmonic 65.73 112.81 # SOURCE4 595 1.5050
angle_coeff @angle:c3-c3-nh harmonic 66.39 110.45 # SOURCE4 1514 1.3881
angle_coeff @angle:c3-c3-no harmonic 65.21 109.27 # SOURCE4 25 1.1817
angle_coeff @angle:c3-c3-o harmonic 68.59 112.97 # SOURCE4 14 1.0277
angle_coeff @angle:c3-c3-oh harmonic 67.72 109.43 # SOURCE3 48 1.5023
angle_coeff @angle:c3-c3-os harmonic 67.78 108.42 # SOURCE3 122 1.6759
angle_coeff @angle:c3-c3-p3 harmonic 76.46 113.19 # SOURCE4 15 0.2974
angle_coeff @angle:c3-c3-p5 harmonic 77.70 112.32 # SOURCE4 106 1.1753
angle_coeff @angle:c3-c3-s4 harmonic 62.16 110.07 # SOURCE4 38 0.8510
angle_coeff @angle:c3-c3-s6 harmonic 62.98 110.00 # SOURCE4 152 1.4278
angle_coeff @angle:c3-c3-sh harmonic 60.98 113.02 # SOURCE4 80 1.3442
angle_coeff @angle:c3-c3-ss harmonic 61.10 112.69 # SOURCE3 24 2.1842
angle_coeff @angle:c3-c3-sy harmonic 62.81 109.91 # SOURCE4 22 0.9248
angle_coeff @angle:ca-c3-ca harmonic 63.66 112.26 # SOURCE4 385 1.7047
angle_coeff @angle:ca-c3-cc harmonic 63.92 112.38 # CORR 69
angle_coeff @angle:ca-c3-cd harmonic 63.92 112.38 # CORR 69
angle_coeff @angle:ca-c3-ce harmonic 63.81 112.33 # SOURCE4 51 1.1929
angle_coeff @angle:ca-c3-cl harmonic 57.85 111.31 # SOURCE4 16 0.8077
angle_coeff @angle:ca-c3-cx harmonic 63.69 112.10 # SOURCE4 5 2.1117
angle_coeff @angle:ca-c3-f harmonic 66.14 111.76 # SOURCE4 449 0.3492
angle_coeff @angle:ca-c3-h1 harmonic 46.78 110.95 # SOURCE3 12 1.1170
angle_coeff @angle:ca-c3-h2 harmonic 47.03 109.66 # SOURCE4 29 1.2184
angle_coeff @angle:ca-c3-hc harmonic 46.96 110.15 # SOURCE3 47 1.2602
angle_coeff @angle:ca-c3-hx harmonic 46.69 111.44 # SOURCE4 33 0.4691
angle_coeff @angle:ca-c3-n2 harmonic 65.92 112.49 # SOURCE4 22 1.1043
angle_coeff @angle:ca-c3-n3 harmonic 66.18 112.13 # SOURCE4 387 1.2309
angle_coeff @angle:ca-c3-n4 harmonic 64.87 114.54 # SOURCE4 22 2.3986
angle_coeff @angle:ca-c3-n harmonic 66.29 112.43 # SOURCE4 201 1.5133
angle_coeff @angle:ca-c3-na harmonic 66.27 112.81 # SOURCE4 104 1.5807
angle_coeff @angle:ca-c3-nc harmonic 68.20 106.51 # SOURCE3 1 0.0000
angle_coeff @angle:ca-c3-nd harmonic 68.20 106.51 # SOURCE3 1 same_as_ca-c3-nc
angle_coeff @angle:ca-c3-nh harmonic 66.64 111.41 # SOURCE4 147 1.0074
angle_coeff @angle:ca-c3-oh harmonic 67.94 110.55 # SOURCE4 348 1.2310
angle_coeff @angle:ca-c3-os harmonic 68.19 108.89 # SOURCE4 411 1.0102
angle_coeff @angle:ca-c3-p5 harmonic 77.64 113.41 # SOURCE4 19 1.4444
angle_coeff @angle:ca-c3-s6 harmonic 62.87 111.36 # SOURCE4 15 1.4775
angle_coeff @angle:ca-c3-ss harmonic 61.90 110.66 # SOURCE4 78 1.4797
angle_coeff @angle:ca-c3-sx harmonic 62.16 110.80 # SOURCE4 16 0.5396
angle_coeff @angle:c-c3-c1 harmonic 64.56 112.64 # SOURCE4 11 1.0678
angle_coeff @angle:c-c3-c2 harmonic 64.14 111.32 # SOURCE4 92 1.8522
angle_coeff @angle:c-c3-c3 harmonic 63.79 110.53 # SOURCE3 62 1.9636
angle_coeff @angle:c-c3-c harmonic 64.06 111.61 # SOURCE4 151 2.1872
angle_coeff @angle:c-c3-ca harmonic 64.13 110.99 # SOURCE4 481 1.7257
angle_coeff @angle:c-c3-cc harmonic 63.89 112.89 # CORR 104
angle_coeff @angle:cc-c3-cc harmonic 64.61 111.05 # CORR 19
angle_coeff @angle:cc-c3-cd harmonic 67.30 102.35 # SOURCE3 1 0.0000
angle_coeff @angle:cc-c3-cx harmonic 63.85 112.55 # SOURCE4 5 1.4317
angle_coeff @angle:c-c3-cd harmonic 63.89 112.89 # CORR 104
angle_coeff @angle:c-c3-ce harmonic 64.02 111.98 # SOURCE4 16 2.1388
angle_coeff @angle:cc-c3-f harmonic 66.70 111.22 # CORR 69
angle_coeff @angle:cc-c3-h1 harmonic 47.03 111.62 # SOURCE3 20 1.0215
angle_coeff @angle:cc-c3-hc harmonic 47.20 110.86 # SOURCE3 85 1.0276
angle_coeff @angle:cc-c3-hx harmonic 47.17 111.02 # SOURCE4 9 0.7503
angle_coeff @angle:c-c3-cl harmonic 57.94 111.16 # SOURCE4 41 1.2257
angle_coeff @angle:cc-c3-n2 harmonic 66.85 110.47 # SOURCE4 11 0.5153
angle_coeff @angle:cc-c3-n3 harmonic 66.79 111.17 # CORR 111
angle_coeff @angle:cc-c3-n4 harmonic 64.88 115.58 # SOURCE4 6 1.1723
angle_coeff @angle:cc-c3-n harmonic 66.84 111.71 # CORR 32
angle_coeff @angle:cc-c3-na harmonic 66.43 113.39 # SOURCE4 8 0.8010
angle_coeff @angle:cc-c3-nc harmonic 68.37 107.04 # SOURCE3 2 0.0000
angle_coeff @angle:cc-c3-nh harmonic 66.68 112.38 # CORR 21
angle_coeff @angle:cc-c3-oh harmonic 68.13 111.10 # CORR 116
angle_coeff @angle:cc-c3-os harmonic 68.51 109.01 # CORR 91
angle_coeff @angle:cc-c3-p5 harmonic 76.89 116.23 # SOURCE4 6 0.7766
angle_coeff @angle:cc-c3-sh harmonic 61.11 114.02 # SOURCE3 1 same_as_cd-c3-sh
angle_coeff @angle:cc-c3-ss harmonic 61.95 111.06 # CORR 43
angle_coeff @angle:c-c3-cx harmonic 64.08 111.09 # SOURCE4 9 1.2357
angle_coeff @angle:cd-c3-cd harmonic 64.61 111.05 # CORR 19
angle_coeff @angle:cd-c3-f harmonic 66.70 111.22 # CORR 69
angle_coeff @angle:cd-c3-h1 harmonic 47.03 111.62 # SOURCE3 20 1.0215
angle_coeff @angle:cd-c3-hc harmonic 47.20 110.86 # SOURCE3 85 1.0276
angle_coeff @angle:cd-c3-n3 harmonic 66.79 111.17 # CORR 111
angle_coeff @angle:cd-c3-n harmonic 66.84 111.71 # CORR 32
angle_coeff @angle:cd-c3-nd harmonic 68.37 107.04 # SOURCE3 2 same_as_cc-c3-nc
angle_coeff @angle:cd-c3-nh harmonic 66.68 112.38 # CORR 21
angle_coeff @angle:cd-c3-oh harmonic 68.13 111.10 # CORR 116
angle_coeff @angle:cd-c3-os harmonic 68.51 109.01 # CORR 91
angle_coeff @angle:cd-c3-sh harmonic 61.11 114.02 # SOURCE3 1 0.0000
angle_coeff @angle:cd-c3-ss harmonic 61.95 111.06 # CORR 43
angle_coeff @angle:ce-c3-ce harmonic 64.24 111.44 # SOURCE4 18 0.3695
angle_coeff @angle:ce-c3-cy harmonic 66.33 102.85 # CORR 55
angle_coeff @angle:ce-c3-h1 harmonic 47.30 109.59 # CORR 119
angle_coeff @angle:ce-c3-hc harmonic 47.00 110.98 # SOURCE3 27 0.1559
angle_coeff @angle:ce-c3-n3 harmonic 66.45 111.83 # CORR 28
angle_coeff @angle:ce-c3-n harmonic 67.09 110.41 # SOURCE4 6 1.1405
angle_coeff @angle:ce-c3-oh harmonic 68.00 111.05 # SOURCE4 17 1.5159
angle_coeff @angle:ce-c3-os harmonic 68.64 108.10 # SOURCE4 16 1.9583
angle_coeff @angle:ce-c3-ss harmonic 61.87 111.10 # SOURCE4 7 2.0156
angle_coeff @angle:c-c3-f harmonic 66.82 109.98 # SOURCE4 38 0.9895
angle_coeff @angle:cf-c3-cy harmonic 66.33 102.85 # CORR 55
angle_coeff @angle:cf-c3-h1 harmonic 47.30 109.59 # CORR 119
angle_coeff @angle:cf-c3-hc harmonic 47.00 110.98 # SOURCE3 27 same_as_ce-c3-hc
angle_coeff @angle:cf-c3-n3 harmonic 66.45 111.83 # CORR 28
angle_coeff @angle:c-c3-h1 harmonic 47.63 107.66 # SOURCE3 66 1.4015
angle_coeff @angle:c-c3-h2 harmonic 47.16 109.69 # SOURCE4 38 1.0614
angle_coeff @angle:c-c3-hc harmonic 47.20 109.68 # SOURCE3 614 0.6426
angle_coeff @angle:c-c3-hx harmonic 47.23 109.54 # SOURCE4 47 0.6627
angle_coeff @angle:cl-c3-cl harmonic 54.23 111.03 # SOURCE2 6 1.1324
angle_coeff @angle:cl-c3-f harmonic 59.15 109.02 # SOURCE4 15 0.3609
angle_coeff @angle:cl-c3-h1 harmonic 40.66 105.93 # SOURCE3 19 1.1883
angle_coeff @angle:cl-c3-h2 harmonic 40.44 107.14 # SOURCE4 50 0.5973
angle_coeff @angle:cl-c3-hc harmonic 40.33 107.65 # SOURCE2 2 2.2500
angle_coeff @angle:cl-c3-os harmonic 60.38 111.40 # SOURCE4 8 0.8275
angle_coeff @angle:cl-c3-ss harmonic 57.60 112.94 # SOURCE4 10 1.4625
angle_coeff @angle:c-c3-n2 harmonic 66.92 109.55 # SOURCE4 55 1.4579
angle_coeff @angle:c-c3-n3 harmonic 66.59 111.14 # SOURCE4 629 1.6673
angle_coeff @angle:c-c3-n4 harmonic 65.07 114.21 # SOURCE4 27 1.5388
angle_coeff @angle:c-c3-n harmonic 66.67 111.56 # SOURCE3 28 1.7981
angle_coeff @angle:c-c3-na harmonic 66.81 111.37 # SOURCE4 31 1.6229
angle_coeff @angle:c-c3-nh harmonic 67.36 109.43 # SOURCE4 42 1.7022
angle_coeff @angle:c-c3-oh harmonic 68.65 108.70 # SOURCE4 299 1.3415
angle_coeff @angle:c-c3-os harmonic 68.03 109.82 # SOURCE3 10 2.0612
angle_coeff @angle:c-c3-p5 harmonic 78.76 110.41 # SOURCE4 15 2.2683
angle_coeff @angle:c-c3-s6 harmonic 63.26 110.22 # SOURCE4 5 2.0076
angle_coeff @angle:c-c3-sh harmonic 62.46 108.82 # SOURCE4 12 0.8354
angle_coeff @angle:c-c3-ss harmonic 61.70 111.58 # SOURCE3 5 1.9506
angle_coeff @angle:cx-c3-cx harmonic 63.53 112.58 # SOURCE4 7 1.2211
angle_coeff @angle:cx-c3-h1 harmonic 47.04 109.64 # SOURCE4 175 0.8822
angle_coeff @angle:cx-c3-hc harmonic 46.92 110.20 # SOURCE4 356 0.8798
angle_coeff @angle:cx-c3-hx harmonic 46.38 112.81 # SOURCE4 12 0.0977
angle_coeff @angle:cx-c3-n3 harmonic 65.83 113.22 # SOURCE4 33 1.3978
angle_coeff @angle:cx-c3-n4 harmonic 68.88 101.51 # SOURCE4 12 0.0760
angle_coeff @angle:cx-c3-n harmonic 66.22 112.59 # SOURCE4 22 0.8034
angle_coeff @angle:cx-c3-oh harmonic 68.10 109.97 # SOURCE4 25 1.3176
angle_coeff @angle:cx-c3-os harmonic 68.40 108.16 # SOURCE4 26 1.0162
angle_coeff @angle:cy-c3-h1 harmonic 47.00 107.88 # SOURCE4 162 0.9624
angle_coeff @angle:cy-c3-hc harmonic 46.51 110.17 # SOURCE3 16 0.5693
angle_coeff @angle:cy-c3-n3 harmonic 65.63 112.72 # SOURCE4 7 1.0639
angle_coeff @angle:cy-c3-oh harmonic 67.22 111.56 # SOURCE4 138 0.5051
angle_coeff @angle:cy-c3-os harmonic 68.45 106.79 # SOURCE4 5 1.0955
angle_coeff @angle:f-c3-f harmonic 71.26 107.16 # SOURCE2 10 1.1324
angle_coeff @angle:f-c3-h1 harmonic 51.57 107.85 # SOURCE3 14 0.9537
angle_coeff @angle:f-c3-h2 harmonic 51.36 108.41 # SOURCE3 6 0.5081
angle_coeff @angle:f-c3-h3 harmonic 51.05 110.01 # SOURCE4 19 0.6811
angle_coeff @angle:f-c3-hc harmonic 51.33 108.92 # SOURCE2 5 3.0534
angle_coeff @angle:f-c3-n2 harmonic 69.23 110.40 # SOURCE2 3 2.6470
angle_coeff @angle:f-c3-os harmonic 70.66 110.61 # SOURCE4 45 1.1755
angle_coeff @angle:f-c3-p5 harmonic 80.63 107.25 # SOURCE4 11 1.1735
angle_coeff @angle:f-c3-s6 harmonic 64.18 109.67 # SOURCE4 24 0.4116
angle_coeff @angle:f-c3-ss harmonic 62.13 111.89 # SOURCE4 11 0.9479
angle_coeff @angle:h1-c3-h1 harmonic 39.18 109.55 # SOURCE3 1888 1.1205
angle_coeff @angle:h1-c3-n1 harmonic 49.99 107.31 # HF/6-31G* 1
angle_coeff @angle:h1-c3-n2 harmonic 49.26 109.61 # SOURCE3 63 1.0452
angle_coeff @angle:h1-c3-n3 harmonic 49.39 109.92 # SOURCE3 313 1.1810
angle_coeff @angle:h1-c3-n harmonic 49.82 109.32 # SOURCE3 91 1.0325
angle_coeff @angle:h1-c3-na harmonic 49.90 109.45 # SOURCE3 53 0.9555
angle_coeff @angle:h1-c3-nc harmonic 50.11 108.57 # SOURCE3 6 0.0764
angle_coeff @angle:h1-c3-nd harmonic 50.11 108.57 # SOURCE3 6 same_as_h1-c3-nc
angle_coeff @angle:h1-c3-nh harmonic 49.73 109.96 # SOURCE3 70 0.7000
angle_coeff @angle:h1-c3-no harmonic 48.66 105.15 # SOURCE4 16 0.4950
angle_coeff @angle:h1-c3-o harmonic 52.53 117.19 # SOURCE3 6 0.0003
angle_coeff @angle:h1-c3-oh harmonic 50.97 109.88 # SOURCE3 63 1.3172
angle_coeff @angle:h1-c3-os harmonic 50.84 108.82 # SOURCE3 541 0.8042
angle_coeff @angle:h1-c3-p5 harmonic 54.25 107.99 # SOURCE4 72 1.1862
angle_coeff @angle:h1-c3-s4 harmonic 42.89 108.66 # SOURCE3 201 0.3834
angle_coeff @angle:h1-c3-s harmonic 41.18 112.60 # SOURCE3 6 0.0026
angle_coeff @angle:h1-c3-s6 harmonic 43.86 108.11 # SOURCE3 160 0.5518
angle_coeff @angle:h1-c3-sh harmonic 42.40 109.21 # SOURCE3 22 1.2028
angle_coeff @angle:h1-c3-ss harmonic 42.40 109.34 # SOURCE3 356 0.6573
angle_coeff @angle:h1-c3-sx harmonic 42.83 108.69 # SOURCE3 90 0.2749
angle_coeff @angle:h1-c3-sy harmonic 43.65 108.09 # SOURCE3 93 0.2556
angle_coeff @angle:h2-c3-h2 harmonic 39.00 109.19 # SOURCE3 29 3.1352
angle_coeff @angle:h2-c3-i harmonic 38.69 104.99 # SOURCE3 2 0.0000
angle_coeff @angle:h2-c3-n2 harmonic 49.08 110.22 # SOURCE3 6 0.2133
angle_coeff @angle:h2-c3-n3 harmonic 49.37 109.80 # SOURCE4 189 1.2893
angle_coeff @angle:h2-c3-n harmonic 50.22 107.38 # SOURCE4 258 1.3140
angle_coeff @angle:h2-c3-na harmonic 50.27 107.66 # SOURCE3 6 1.4096
angle_coeff @angle:h2-c3-nc harmonic 49.85 109.47 # SOURCE3 10 0.3133
angle_coeff @angle:h2-c3-nd harmonic 49.85 109.47 # SOURCE3 10 same_as_h2-c3-nc
angle_coeff @angle:h2-c3-nh harmonic 49.60 110.33 # SOURCE4 102 1.0596
angle_coeff @angle:h2-c3-no harmonic 47.83 108.69 # SOURCE3 4 0.0000
angle_coeff @angle:h2-c3-o harmonic 54.38 108.97 # SOURCE3 4 0.0000
angle_coeff @angle:h2-c3-oh harmonic 51.29 108.30 # SOURCE3 6 0.5715
angle_coeff @angle:h2-c3-os harmonic 50.84 108.58 # SOURCE3 44 1.2773
angle_coeff @angle:h2-c3-s4 harmonic 42.93 108.58 # SOURCE3 8 0.2408
angle_coeff @angle:h2-c3-s harmonic 42.32 106.75 # SOURCE3 4 0.0000
angle_coeff @angle:h2-c3-s6 harmonic 44.20 106.54 # SOURCE4 27 0.9934
angle_coeff @angle:h2-c3-sh harmonic 42.68 107.87 # SOURCE3 6 0.4376
angle_coeff @angle:h2-c3-ss harmonic 42.34 109.75 # SOURCE3 10 0.3442
angle_coeff @angle:h3-c3-n3 harmonic 49.73 108.39 # SOURCE4 12 1.7932
angle_coeff @angle:h3-c3-nc harmonic 49.91 109.37 # SOURCE3 1 0.0000
angle_coeff @angle:h3-c3-nd harmonic 49.91 109.37 # SOURCE3 1 same_as_h3-c3-nc
angle_coeff @angle:h3-c3-nh harmonic 49.53 110.78 # SOURCE4 5 1.5993
angle_coeff @angle:h3-c3-os harmonic 50.09 112.03 # SOURCE4 17 1.0957
angle_coeff @angle:h3-c3-ss harmonic 42.42 109.27 # SOURCE4 8 0.8367
angle_coeff @angle:hc-c3-hc harmonic 39.43 108.35 # SOURCE3 2380 0.9006
angle_coeff @angle:hc-c3-i harmonic 38.62 104.99 # SOURCE3 1
angle_coeff @angle:hc-c3-n2 harmonic 49.29 109.50 # SOURCE3 1
angle_coeff @angle:hc-c3-n3 harmonic 49.42 109.80 # SOURCE2 5 2.0070
angle_coeff @angle:hc-c3-n4 harmonic 49.01 107.90 # SOURCE3 1
angle_coeff @angle:hc-c3-n harmonic 49.78 109.50 # SOURCE3 1
angle_coeff @angle:hc-c3-na harmonic 49.90 109.50 # SOURCE3 1
angle_coeff @angle:hc-c3-nh harmonic 49.38 111.54 # SOURCE3 1
angle_coeff @angle:hc-c3-no harmonic 48.19 107.20 # SOURCE2 1 0.0000
angle_coeff @angle:hc-c3-oh harmonic 51.07 109.50 # SOURCE3 1
angle_coeff @angle:hc-c3-os harmonic 50.87 108.70 # SOURCE2 13 2.3739
angle_coeff @angle:hc-c3-p2 harmonic 52.37 110.18 # SOURCE3 25 0.4057
angle_coeff @angle:hc-c3-p3 harmonic 52.73 110.14 # SOURCE3 325 0.5126
angle_coeff @angle:hc-c3-p4 harmonic 53.21 109.59 # SOURCE3 87 0.3196
angle_coeff @angle:hc-c3-p5 harmonic 53.84 109.64 # SOURCE3 69 0.8112
angle_coeff @angle:hc-c3-px harmonic 53.46 109.74 # SOURCE3 84 0.3474
angle_coeff @angle:hc-c3-py harmonic 53.86 109.54 # SOURCE3 39 0.1999
angle_coeff @angle:hc-c3-s4 harmonic 43.12 107.50 # SOURCE2 1 0.0000
angle_coeff @angle:hc-c3-s6 harmonic 43.84 108.20 # SOURCE3 1
angle_coeff @angle:hc-c3-sh harmonic 42.66 107.87 # SOURCE2 3 2.0981
angle_coeff @angle:hc-c3-ss harmonic 42.51 108.76 # SOURCE2 3 1.6891
angle_coeff @angle:hx-c3-hx harmonic 39.04 110.74 # SOURCE3 137 0.5531
angle_coeff @angle:hx-c3-n4 harmonic 49.02 107.91 # SOURCE3 148 0.5899
angle_coeff @angle:i-c3-i harmonic 61.98 113.12 # SOURCE3 1 0.0000
angle_coeff @angle:n1-c3-n1 harmonic 71.09 105.07 # HF/6-31G* 1
angle_coeff @angle:n2-c3-n2 harmonic 69.89 107.70 # SOURCE3 1 0.0000
angle_coeff @angle:n2-c3-nh harmonic 69.26 111.06 # SOURCE4 5 0.7868
angle_coeff @angle:n2-c3-oh harmonic 70.15 111.82 # SOURCE4 10 0.3451
angle_coeff @angle:n2-c3-os harmonic 70.04 111.23 # SOURCE4 6 1.0463
angle_coeff @angle:n3-c3-n3 harmonic 69.61 109.59 # SOURCE4 27 1.8125
angle_coeff @angle:n3-c3-nc harmonic 68.79 113.29 # SOURCE3 1 0.0000
angle_coeff @angle:n3-c3-nd harmonic 68.79 113.29 # SOURCE3 1 same_as_n3-c3-nc
angle_coeff @angle:n3-c3-nh harmonic 69.74 110.08 # SOURCE4 21 1.0686
angle_coeff @angle:n3-c3-oh harmonic 70.71 110.63 # SOURCE4 20 1.0177
angle_coeff @angle:n3-c3-os harmonic 71.15 108.33 # SOURCE4 17 1.9545
angle_coeff @angle:n3-c3-p5 harmonic 81.55 109.51 # SOURCE4 10 1.5002
angle_coeff @angle:n3-c3-ss harmonic 64.75 107.73 # SOURCE4 18 1.7621
angle_coeff @angle:n4-c3-n4 harmonic 67.13 113.32 # SOURCE3 1 0.0000
angle_coeff @angle:na-c3-na harmonic 69.06 113.49 # SOURCE3 1 0.0000
angle_coeff @angle:na-c3-os harmonic 71.27 109.06 # SOURCE4 170 0.5450
angle_coeff @angle:nc-c3-nc harmonic 69.96 110.61 # SOURCE3 1 0.0000
angle_coeff @angle:nc-c3-nh harmonic 69.34 112.43 # SOURCE3 1 0.0000
angle_coeff @angle:nc-c3-os harmonic 69.28 115.41 # SOURCE3 3 1.0288
angle_coeff @angle:nd-c3-nd harmonic 69.96 110.61 # SOURCE3 1 same_as_nc-c3-nc
angle_coeff @angle:nd-c3-nh harmonic 69.34 112.43 # SOURCE3 1 same_as_nc-c3-nh
angle_coeff @angle:nd-c3-os harmonic 69.28 115.41 # SOURCE3 3 same_as_nc-c3-os
angle_coeff @angle:nh-c3-nh harmonic 71.41 105.87 # SOURCE3 1 0.0000
angle_coeff @angle:nh-c3-oh harmonic 70.47 112.36 # SOURCE4 12 0.7775
angle_coeff @angle:nh-c3-os harmonic 71.26 108.93 # SOURCE4 17 1.3775
angle_coeff @angle:nh-c3-p5 harmonic 80.62 112.50 # SOURCE4 5 1.7371
angle_coeff @angle:nh-c3-ss harmonic 64.53 108.88 # SOURCE4 8 2.1521
angle_coeff @angle:n-c3-n2 harmonic 68.82 112.34 # SOURCE4 5 1.1443
angle_coeff @angle:n-c3-n3 harmonic 69.39 111.03 # SOURCE4 15 1.8216
angle_coeff @angle:n-c3-n harmonic 68.78 113.81 # SOURCE3 1 0.0000
angle_coeff @angle:n-c3-nh harmonic 70.54 108.34 # SOURCE4 11 2.1727
angle_coeff @angle:n-c3-oh harmonic 70.36 112.54 # SOURCE4 31 1.1295
angle_coeff @angle:no-c3-no harmonic 68.37 104.47 # SOURCE4 5 0.9726
angle_coeff @angle:n-c3-os harmonic 71.14 109.16 # SOURCE4 153 0.8778
angle_coeff @angle:n-c3-p5 harmonic 81.48 110.05 # SOURCE4 5 1.2965
angle_coeff @angle:oh-c3-oh harmonic 72.71 109.23 # SOURCE4 8 1.4978
angle_coeff @angle:oh-c3-os harmonic 72.38 109.21 # SOURCE4 85 1.1964
angle_coeff @angle:oh-c3-p5 harmonic 82.83 108.86 # SOURCE4 33 1.2025
angle_coeff @angle:oh-c3-sh harmonic 63.30 115.46 # SOURCE3 1 0.0000
angle_coeff @angle:o-c3-o harmonic 74.43 122.30 # SOURCE3 1 0.0000
angle_coeff @angle:os-c3-os harmonic 71.72 110.24 # SOURCE3 17 2.1340
angle_coeff @angle:os-c3-p5 harmonic 82.86 108.36 # SOURCE4 22 2.1937
angle_coeff @angle:os-c3-ss harmonic 65.36 107.98 # SOURCE4 20 1.7464
angle_coeff @angle:p2-c3-p2 harmonic 98.16 110.48 # SOURCE3 1 0.0000
angle_coeff @angle:p3-c3-p3 harmonic 98.88 110.16 # SOURCE3 1 0.0000
angle_coeff @angle:p5-c3-p5 harmonic 100.59 110.13 # SOURCE4 33 2.4116
angle_coeff @angle:p5-c3-ss harmonic 78.88 111.30 # SOURCE4 5 2.0560
angle_coeff @angle:s4-c3-s4 harmonic 62.40 112.29 # SOURCE3 2 1.2724
angle_coeff @angle:s4-c3-s6 harmonic 62.62 113.52 # SOURCE3 1
angle_coeff @angle:s6-c3-s6 harmonic 63.71 111.75 # SOURCE3 1 0.0000
angle_coeff @angle:sh-c3-sh harmonic 60.82 116.26 # SOURCE3 1 0.0000
angle_coeff @angle:sh-c3-ss harmonic 62.33 110.73 # SOURCE3 1
angle_coeff @angle:s-c3-s harmonic 58.31 123.35 # SOURCE3 1 0.0000
angle_coeff @angle:ss-c3-ss harmonic 62.40 110.57 # SOURCE4 15 1.4311
angle_coeff @angle:br-ca-br harmonic 67.31 117.60 # SOURCE3 1
angle_coeff @angle:br-ca-ca harmonic 63.48 118.13 # SOURCE3 8 0.6041
angle_coeff @angle:c1-ca-c1 harmonic 64.70 120.00 # SOURCE3 1
angle_coeff @angle:c1-ca-ca harmonic 65.86 120.00 # SOURCE3 1
angle_coeff @angle:c2-ca-c2 harmonic 62.95 120.00 # SOURCE3 1
angle_coeff @angle:c2-ca-ca harmonic 64.69 120.60 # SOURCE3 1
angle_coeff @angle:c3-ca-c2 harmonic 62.24 120.00 # SOURCE3 1
angle_coeff @angle:c3-ca-c3 harmonic 62.41 116.80 # SOURCE3 1
angle_coeff @angle:c3-ca-ca harmonic 63.84 120.63 # SOURCE3 60 0.7175
angle_coeff @angle:c3-ca-cp harmonic 63.64 120.63 # CORR 120
angle_coeff @angle:c3-ca-cq harmonic 63.64 120.63 # CORR 120
angle_coeff @angle:c3-ca-na harmonic 66.59 118.78 # SOURCE4 59 1.1184
angle_coeff @angle:c3-ca-nb harmonic 67.33 116.66 # SOURCE4 408 0.9380
angle_coeff @angle:ca-ca-ca harmonic 67.18 119.97 # SOURCE3 1969 0.3480
angle_coeff @angle:ca-ca-cc harmonic 65.99 120.10 # SOURCE3 103 0.3451
angle_coeff @angle:ca-ca-cd harmonic 65.99 120.10 # SOURCE3 103 0.3451
angle_coeff @angle:ca-ca-ce harmonic 64.88 120.66 # SOURCE3 14 0.1564
angle_coeff @angle:ca-ca-cf harmonic 64.88 120.66 # SOURCE3 14 same_as_ca-ca-ce
angle_coeff @angle:ca-ca-cg harmonic 65.90 120.05 # SOURCE3 6 0.2397
angle_coeff @angle:ca-ca-ch harmonic 65.90 120.05 # SOURCE3 6 same_as_ca-ca-cg
angle_coeff @angle:ca-ca-cl harmonic 58.52 119.40 # SOURCE4 2459 0.5283
angle_coeff @angle:ca-ca-cp harmonic 67.16 119.07 # CORR 28
angle_coeff @angle:ca-ca-cq harmonic 67.16 119.07 # CORR 28
angle_coeff @angle:ca-ca-cx harmonic 64.48 120.83 # SOURCE4 71 1.3062
angle_coeff @angle:ca-ca-cy harmonic 63.77 120.86 # SOURCE4 17 2.0287
angle_coeff @angle:ca-ca-f harmonic 67.51 118.95 # SOURCE4 967 0.3369
angle_coeff @angle:ca-ca-h4 harmonic 48.24 121.09 # SOURCE3 57 1.4696
angle_coeff @angle:ca-ca-ha harmonic 48.46 120.01 # SOURCE3 2980 0.2511
angle_coeff @angle:ca-ca-i harmonic 58.59 118.47 # SOURCE3 10 0.6181
angle_coeff @angle:ca-ca-n1 harmonic 68.92 118.50 # HF/6-31G* 1
angle_coeff @angle:ca-ca-n2 harmonic 70.95 119.57 # SOURCE3 1
angle_coeff @angle:ca-ca-n4 harmonic 67.28 118.41 # SOURCE3 6 0.1691
angle_coeff @angle:ca-ca-n harmonic 67.97 119.89 # SOURCE3 18 0.2095
angle_coeff @angle:ca-ca-na harmonic 70.21 118.34 # SOURCE3 54 3.6168
angle_coeff @angle:ca-ca-nb harmonic 69.16 122.63 # SOURCE3 83 1.1249
angle_coeff @angle:ca-ca-nc harmonic 70.14 119.72 # SOURCE3 22 3.3994
angle_coeff @angle:ca-ca-nd harmonic 70.14 119.72 # SOURCE3 22 3.3994
angle_coeff @angle:ca-ca-ne harmonic 67.74 119.88 # SOURCE3 24 0.3637
angle_coeff @angle:ca-ca-nf harmonic 67.74 119.88 # SOURCE3 24 0.3637
angle_coeff @angle:ca-ca-nh harmonic 69.34 120.13 # SOURCE3 193 0.6341
angle_coeff @angle:ca-ca-no harmonic 66.88 119.54 # SOURCE3 10 1.3187
angle_coeff @angle:ca-ca-o harmonic 71.85 123.29 # SOURCE4 11 1.2526
angle_coeff @angle:ca-ca-oh harmonic 69.85 119.94 # SOURCE3 14 0.1627
angle_coeff @angle:ca-ca-os harmonic 69.79 119.20 # SOURCE3 52 0.5240
angle_coeff @angle:ca-ca-p2 harmonic 77.87 114.36 # SOURCE3 1
angle_coeff @angle:ca-ca-p3 harmonic 76.34 120.73 # SOURCE3 6 0.1273
angle_coeff @angle:ca-ca-p4 harmonic 77.11 120.30 # SOURCE3 1
angle_coeff @angle:ca-ca-p5 harmonic 77.50 120.28 # SOURCE4 5 0.0177
angle_coeff @angle:ca-ca-pe harmonic 76.26 120.45 # SOURCE3 20 0.2719
angle_coeff @angle:ca-ca-pf harmonic 76.26 120.45 # SOURCE3 20 0.2719
angle_coeff @angle:ca-ca-px harmonic 76.37 120.53 # SOURCE3 10 0.4509
angle_coeff @angle:ca-ca-py harmonic 77.43 119.98 # SOURCE3 6 0.0670
angle_coeff @angle:ca-ca-s4 harmonic 61.72 119.15 # SOURCE3 1
angle_coeff @angle:ca-ca-s6 harmonic 62.18 120.54 # SOURCE4 36 1.2154
angle_coeff @angle:ca-ca-s harmonic 62.22 122.55 # SOURCE3 4 0.0000
angle_coeff @angle:ca-ca-sh harmonic 61.32 121.78 # SOURCE4 17 1.2849
angle_coeff @angle:ca-ca-ss harmonic 62.03 119.93 # SOURCE3 16 0.3901
angle_coeff @angle:ca-ca-sx harmonic 60.68 119.18 # SOURCE3 6 0.0434
angle_coeff @angle:ca-ca-sy harmonic 61.64 119.89 # SOURCE3 24 1.8813
angle_coeff @angle:c-ca-c3 harmonic 62.61 118.06 # SOURCE3 1
angle_coeff @angle:c-ca-c harmonic 62.65 120.00 # SOURCE3 1
angle_coeff @angle:c-ca-ca harmonic 64.64 120.14 # SOURCE3 40 0.4788
angle_coeff @angle:cc-ca-cp harmonic 64.63 124.30 # SOURCE4 10 0.6423
angle_coeff @angle:cc-ca-nb harmonic 69.19 118.02 # CORR 64
angle_coeff @angle:cd-ca-nb harmonic 69.19 118.02 # CORR 64
angle_coeff @angle:ce-ca-na harmonic 67.44 119.85 # SOURCE4 9 0.7001
angle_coeff @angle:ce-ca-nb harmonic 68.24 117.59 # CORR 44
angle_coeff @angle:cf-ca-nb harmonic 68.24 117.59 # CORR 44
angle_coeff @angle:cg-ca-cp harmonic 65.26 121.53 # SOURCE4 12 0.1831
angle_coeff @angle:c-ca-ha harmonic 46.51 115.90 # SOURCE3 1
angle_coeff @angle:cl-ca-cl harmonic 54.17 118.72 # SOURCE3 1
angle_coeff @angle:cl-ca-cp harmonic 58.19 120.31 # SOURCE4 18 0.5607
angle_coeff @angle:cl-ca-nb harmonic 61.21 116.15 # SOURCE4 50 0.6047
angle_coeff @angle:c-ca-nb harmonic 67.71 117.94 # SOURCE4 91 1.0536
angle_coeff @angle:c-ca-nc harmonic 64.40 130.80 # SOURCE3 1
angle_coeff @angle:c-ca-nd harmonic 64.40 130.80 # SOURCE3 1 same_as_c-ca-nc
angle_coeff @angle:cp-ca-f harmonic 67.10 119.39 # SOURCE4 16 0.1724
angle_coeff @angle:cp-ca-h4 harmonic 48.15 120.03 # SOURCE4 27 0.4431
angle_coeff @angle:cp-ca-ha harmonic 47.94 121.08 # CORR 24
angle_coeff @angle:cp-ca-na harmonic 72.91 108.79 # SOURCE4 165 0.5166
angle_coeff @angle:cp-ca-nb harmonic 68.56 123.72 # SOURCE4 50 0.8176
angle_coeff @angle:cp-ca-nh harmonic 68.66 121.52 # SOURCE4 11 0.5438
angle_coeff @angle:cp-ca-oh harmonic 69.26 120.96 # SOURCE4 12 1.1400
angle_coeff @angle:cp-ca-ss harmonic 63.87 112.75 # SOURCE4 8 0.6216
angle_coeff @angle:cp-ca-sy harmonic 63.91 111.18 # CORR 4
angle_coeff @angle:cq-ca-ha harmonic 47.94 121.08 # CORR 24
angle_coeff @angle:cq-ca-sy harmonic 63.91 111.18 # CORR 4
angle_coeff @angle:f-ca-f harmonic 68.05 117.50 # SOURCE3 1
angle_coeff @angle:f-ca-nb harmonic 71.69 114.58 # SOURCE4 19 0.2987
angle_coeff @angle:h4-ca-n harmonic 49.48 116.02 # SOURCE3 1
angle_coeff @angle:h4-ca-na harmonic 51.88 114.65 # SOURCE3 5 1.5484
angle_coeff @angle:h4-ca-nb harmonic 51.82 115.94 # SOURCE3 52 0.7370
angle_coeff @angle:h4-ca-nc harmonic 51.46 118.36 # SOURCE3 1
angle_coeff @angle:h4-ca-nd harmonic 51.46 118.36 # SOURCE3 1 same_as_h4-ca-nc
angle_coeff @angle:h4-ca-os harmonic 52.30 111.15 # SOURCE3 1
angle_coeff @angle:h4-ca-ss harmonic 42.40 116.19 # SOURCE3 1
angle_coeff @angle:h5-ca-nb harmonic 51.76 116.35 # SOURCE3 30 0.5545
angle_coeff @angle:h5-ca-nc harmonic 50.70 122.11 # SOURCE3 1
angle_coeff @angle:h5-ca-nd harmonic 50.70 122.11 # SOURCE3 1 same_as_h5-ca-nc
angle_coeff @angle:ha-ca-n2 harmonic 52.97 116.00 # SOURCE2 1 0.0000
angle_coeff @angle:ha-ca-p2 harmonic 50.08 122.56 # SOURCE3 1
angle_coeff @angle:i-ca-i harmonic 62.29 119.28 # SOURCE3 1
angle_coeff @angle:n1-ca-n1 harmonic 70.73 117.03 # HF/6-31G* 1
angle_coeff @angle:n2-ca-n2 harmonic 75.05 120.00 # SOURCE3 1
angle_coeff @angle:n2-ca-na harmonic 73.80 119.60 # SOURCE3 1
angle_coeff @angle:n4-ca-n4 harmonic 67.65 116.82 # SOURCE3 1
angle_coeff @angle:na-ca-na harmonic 76.48 107.65 # SOURCE4 5 0.8751
angle_coeff @angle:na-ca-nb harmonic 70.60 127.07 # SOURCE4 237 1.9392
angle_coeff @angle:na-ca-nh harmonic 72.48 118.62 # SOURCE4 29 0.9759
angle_coeff @angle:nb-ca-nb harmonic 70.78 127.19 # SOURCE4 585 1.1793
angle_coeff @angle:nb-ca-nc harmonic 71.12 126.53 # CORR 22
angle_coeff @angle:nb-ca-nd harmonic 71.12 126.53 # CORR 22
angle_coeff @angle:nb-ca-nh harmonic 73.20 116.95 # SOURCE4 765 0.8040
angle_coeff @angle:nb-ca-oh harmonic 73.57 117.30 # SOURCE4 64 0.9290
angle_coeff @angle:nb-ca-os harmonic 72.54 119.66 # SOURCE4 76 0.6493
angle_coeff @angle:nb-ca-sh harmonic 64.31 117.59 # SOURCE4 15 1.4616
angle_coeff @angle:nb-ca-ss harmonic 64.10 119.30 # SOURCE4 41 1.3420
angle_coeff @angle:nc-ca-nc harmonic 70.67 128.74 # SOURCE3 1
angle_coeff @angle:nc-ca-nh harmonic 72.77 118.86 # SOURCE3 1
angle_coeff @angle:nd-ca-nd harmonic 70.67 128.74 # SOURCE3 1 same_as_nc-ca-nc
angle_coeff @angle:nd-ca-nh harmonic 72.77 118.86 # SOURCE3 1 same_as_nc-ca-nh
angle_coeff @angle:nh-ca-nh harmonic 71.40 120.98 # SOURCE3 1
angle_coeff @angle:n-ca-nc harmonic 69.66 123.86 # SOURCE3 1
angle_coeff @angle:n-ca-nd harmonic 69.66 123.86 # SOURCE3 1 same_as_n-ca-nc
angle_coeff @angle:n-ca-nh harmonic 71.29 116.16 # SOURCE3 1
angle_coeff @angle:no-ca-no harmonic 67.42 117.14 # SOURCE3 1
angle_coeff @angle:oh-ca-oh harmonic 72.63 120.00 # SOURCE3 1
angle_coeff @angle:o-ca-o harmonic 78.21 126.82 # SOURCE3 1
angle_coeff @angle:os-ca-os harmonic 74.01 113.73 # SOURCE3 1
angle_coeff @angle:p2-ca-p2 harmonic 94.48 121.20 # SOURCE3 1
angle_coeff @angle:p3-ca-p3 harmonic 95.21 121.46 # SOURCE3 1
angle_coeff @angle:p5-ca-p5 harmonic 97.33 120.00 # SOURCE3 1
angle_coeff @angle:s4-ca-s4 harmonic 64.96 105.81 # SOURCE3 1
angle_coeff @angle:s6-ca-s6 harmonic 66.03 105.81 # SOURCE3 1
angle_coeff @angle:sh-ca-sh harmonic 61.27 120.24 # SOURCE3 1
angle_coeff @angle:s-ca-s harmonic 61.42 125.14 # SOURCE3 1
angle_coeff @angle:ss-ca-ss harmonic 62.91 115.15 # SOURCE3 1
angle_coeff @angle:br-c-br harmonic 66.91 113.10 # SOURCE3 1
angle_coeff @angle:br-c-c3 harmonic 63.34 110.74 # SOURCE3 1 0.0000
angle_coeff @angle:br-c-o harmonic 63.19 121.46 # SOURCE3 5 1.6264
angle_coeff @angle:c1-c-c1 harmonic 65.09 115.32 # SOURCE3 1
angle_coeff @angle:c1-c-o harmonic 69.92 122.34 # SOURCE3 1
angle_coeff @angle:c2-c-c2 harmonic 67.17 116.78 # SOURCE3 1
angle_coeff @angle:c2-c-ha harmonic 48.65 115.95 # SOURCE3 1
angle_coeff @angle:c2-c-o harmonic 72.77 119.12 # SOURCE3 2 0.0000
angle_coeff @angle:c2-c-s harmonic 64.67 119.16 # SOURCE3 2 0.0000
angle_coeff @angle:c3-c-c3 harmonic 62.82 116.05 # SOURCE3 11 1.0986
angle_coeff @angle:c3-c-ca harmonic 62.59 118.54 # SOURCE4 240 1.3614
angle_coeff @angle:c3-c-cc harmonic 63.38 117.47 # CORR 46
angle_coeff @angle:c3-c-cd harmonic 63.38 117.47 # CORR 46
angle_coeff @angle:c3-c-ce harmonic 63.44 116.37 # CORR 233
angle_coeff @angle:c3-c-cf harmonic 63.44 116.37 # CORR 233
angle_coeff @angle:c3-c-cg harmonic 64.26 115.00 # SOURCE2 1 0.0000
angle_coeff @angle:c3-c-ch harmonic 64.26 115.00 # SOURCE2 1 same_as_c3-c-cg
angle_coeff @angle:c3-c-cl harmonic 58.18 111.99 # SOURCE3 2 0.0125
angle_coeff @angle:c3-c-f harmonic 66.93 110.70 # SOURCE2 1 0.0000
angle_coeff @angle:c3-c-h4 harmonic 46.11 114.40 # SOURCE4 57 0.4032
angle_coeff @angle:c3-c-ha harmonic 46.01 115.22 # SOURCE3 15 0.3181
angle_coeff @angle:c3-c-i harmonic 56.87 112.94 # SOURCE3 1 0.0000
angle_coeff @angle:c3-c-n2 harmonic 66.62 114.53 # SOURCE3 1
angle_coeff @angle:c3-c-n4 harmonic 64.61 112.26 # SOURCE3 2 0.0000
angle_coeff @angle:c3-c-n harmonic 67.86 115.15 # SOURCE3 153 2.7443
angle_coeff @angle:c3-c-ne harmonic 68.03 111.56 # CORR 12
angle_coeff @angle:c3-c-nf harmonic 68.03 111.56 # CORR 12
angle_coeff @angle:c3-c-o harmonic 68.03 123.11 # SOURCE3 267 3.0977
angle_coeff @angle:c3-c-oh harmonic 69.84 112.20 # SOURCE3 14 1.8324
angle_coeff @angle:c3-c-os harmonic 69.26 111.96 # SOURCE3 15 2.3072
angle_coeff @angle:c3-c-p3 harmonic 74.55 116.42 # SOURCE3 3 0.1291
angle_coeff @angle:c3-c-p5 harmonic 73.81 118.90 # SOURCE3 1
angle_coeff @angle:c3-c-pe harmonic 74.19 114.85 # SOURCE3 1 0.0000
angle_coeff @angle:c3-c-pf harmonic 74.19 114.85 # SOURCE3 1 same_as_c3-c-pe
angle_coeff @angle:c3-c-px harmonic 74.17 115.60 # SOURCE3 1 0.0000
angle_coeff @angle:c3-c-py harmonic 74.48 118.16 # SOURCE3 3 1.0735
angle_coeff @angle:c3-c-s4 harmonic 59.64 114.79 # SOURCE3 1
angle_coeff @angle:c3-c-s6 harmonic 59.65 114.72 # SOURCE3 1
angle_coeff @angle:c3-c-s harmonic 62.03 123.73 # SOURCE3 9 1.4528
angle_coeff @angle:c3-c-sh harmonic 61.97 114.21 # SOURCE3 3 2.3916
angle_coeff @angle:c3-c-ss harmonic 62.41 114.32 # SOURCE3 5 2.7478
angle_coeff @angle:c3-c-sx harmonic 59.48 113.97 # SOURCE3 3 0.0610
angle_coeff @angle:c3-c-sy harmonic 59.89 114.28 # SOURCE3 3 0.7341
angle_coeff @angle:ca-c-ca harmonic 63.03 118.58 # SOURCE4 144 2.1146
angle_coeff @angle:ca-c-cc harmonic 64.24 116.07 # CORR 257
angle_coeff @angle:ca-c-cd harmonic 64.24 116.07 # CORR 257
angle_coeff @angle:ca-c-ce harmonic 63.21 118.92 # CORR 36
angle_coeff @angle:ca-c-cf harmonic 63.21 118.92 # CORR 36
angle_coeff @angle:ca-c-h4 harmonic 46.52 115.14 # SOURCE4 30 0.7320
angle_coeff @angle:ca-c-ha harmonic 46.80 114.12 # SOURCE3 1 0.0000
angle_coeff @angle:ca-c-n harmonic 68.47 115.14 # SOURCE4 571 1.4648
angle_coeff @angle:ca-c-ne harmonic 67.74 114.39 # SOURCE4 5 0.2958
angle_coeff @angle:ca-c-o harmonic 68.67 123.44 # SOURCE3 18 2.5574
angle_coeff @angle:ca-c-oh harmonic 70.11 113.44 # SOURCE4 222 0.8421
angle_coeff @angle:ca-c-os harmonic 68.78 115.54 # SOURCE3 5 2.6708
angle_coeff @angle:ca-c-s harmonic 62.52 123.04 # SOURCE4 12 0.7935
angle_coeff @angle:ca-c-sh harmonic 61.05 118.63 # SOURCE3 1 0.0000
angle_coeff @angle:ca-c-ss harmonic 62.45 115.13 # SOURCE4 12 1.0069
angle_coeff @angle:br-cc-c harmonic 63.98 115.68 # SOURCE4 8 0.4970
angle_coeff @angle:br-cc-cc harmonic 61.82 124.89 # SOURCE4 8 1.9479
angle_coeff @angle:br-cc-cd harmonic 62.26 124.56 # SOURCE4 32 2.4696
angle_coeff @angle:br-cc-na harmonic 64.60 121.42 # SOURCE4 6 0.5507
angle_coeff @angle:c2-cc-c3 harmonic 63.27 126.11 # SOURCE3 2 0.0000
angle_coeff @angle:c2-cc-ca harmonic 65.34 124.66 # CORR 16
angle_coeff @angle:c2-cc-cc harmonic 66.24 121.77 # CORR 32
angle_coeff @angle:c2-cc-cd harmonic 69.09 117.02 # SOURCE3 2 0.0703
angle_coeff @angle:c2-cc-ha harmonic 48.69 122.72 # SOURCE3 2 0.0092
angle_coeff @angle:c2-cc-n harmonic 67.74 126.90 # SOURCE3 1 0.0000
angle_coeff @angle:c2-cc-os harmonic 70.10 120.79 # CORR 13
angle_coeff @angle:c-c-c3 harmonic 61.72 116.86 # SOURCE3 5 0.1653
angle_coeff @angle:c3-cc-ca harmonic 61.96 125.89 # CORR 127
angle_coeff @angle:c3-cc-cc harmonic 64.66 115.97 # SOURCE3 4 3.0507
angle_coeff @angle:c3-cc-cd harmonic 64.81 119.45 # SOURCE3 35 8.2040
angle_coeff @angle:c3-cc-cf harmonic 65.34 117.84 # CORR 2
angle_coeff @angle:c3-cc-ha harmonic 45.11 121.52 # SOURCE3 32 3.2091
angle_coeff @angle:c3-cc-n2 harmonic 65.80 126.87 # CORR 9
angle_coeff @angle:c3-cc-n harmonic 66.33 119.11 # CORR 68
angle_coeff @angle:c3-cc-na harmonic 65.50 122.78 # CORR 632
angle_coeff @angle:c3-cc-nc harmonic 65.90 120.94 # CORR 309
angle_coeff @angle:c3-cc-nd harmonic 66.32 122.13 # CORR 475
angle_coeff @angle:c3-cc-os harmonic 67.54 116.88 # CORR 203
angle_coeff @angle:c3-cc-ss harmonic 61.21 121.66 # CORR 171
angle_coeff @angle:c-c-c harmonic 62.30 111.68 # SOURCE3 2 6.1226
angle_coeff @angle:c-c-ca harmonic 61.73 118.34 # SOURCE4 26 1.0692
angle_coeff @angle:ca-cc-cc harmonic 67.66 111.04 # SOURCE3 9 7.9455
angle_coeff @angle:ca-cc-cd harmonic 68.23 113.51 # SOURCE3 26 7.4229
angle_coeff @angle:ca-cc-ce harmonic 62.51 127.87 # SOURCE4 11 1.7579
angle_coeff @angle:ca-cc-h4 harmonic 45.57 128.66 # SOURCE3 10 3.1167
angle_coeff @angle:ca-cc-ha harmonic 46.40 124.04 # SOURCE3 34 3.6691
angle_coeff @angle:ca-cc-n harmonic 68.46 117.67 # CORR 18
angle_coeff @angle:ca-cc-nc harmonic 67.69 120.67 # CORR 162
angle_coeff @angle:ca-cc-nd harmonic 67.92 123.02 # CORR 188
angle_coeff @angle:ca-cc-nh harmonic 67.46 122.45 # SOURCE4 9 1.4092
angle_coeff @angle:ca-cc-oh harmonic 69.61 117.71 # CORR 21
angle_coeff @angle:ca-cc-os harmonic 69.82 115.16 # CORR 134
angle_coeff @angle:ca-cc-ss harmonic 62.30 120.51 # CORR 43
angle_coeff @angle:c-cc-c2 harmonic 65.60 120.92 # CORR 22
angle_coeff @angle:c-cc-c3 harmonic 63.60 117.42 # CORR 126
angle_coeff @angle:c-cc-c harmonic 63.42 121.17 # CORR 64
angle_coeff @angle:c-c-cc harmonic 64.02 111.67 # SOURCE3 4 5.5146
angle_coeff @angle:c-cc-ca harmonic 63.55 122.95 # SOURCE3 1 0.0000
angle_coeff @angle:c-cc-cc harmonic 63.72 122.69 # SOURCE3 2 0.0000
angle_coeff @angle:cc-c-cc harmonic 64.80 116.04 # CORR 56
angle_coeff @angle:cc-cc-cc harmonic 67.88 110.70 # SOURCE3 54 3.4091
angle_coeff @angle:cc-cc-cd harmonic 68.16 114.19 # SOURCE3 517 6.5960
angle_coeff @angle:cc-cc-ce harmonic 62.78 127.20 # CORR 42
angle_coeff @angle:cc-cc-cf harmonic 65.88 122.59 # CORR 39
angle_coeff @angle:cc-cc-cg harmonic 63.63 126.15 # CORR 27
angle_coeff @angle:c-cc-cd harmonic 65.25 121.42 # CORR 1708
angle_coeff @angle:cc-c-cd harmonic 65.73 112.79 # SOURCE3 1 0.0000
angle_coeff @angle:c-cc-ce harmonic 63.20 122.73 # CORR 10
angle_coeff @angle:cc-c-ce harmonic 64.64 115.68 # SOURCE4 6 1.2033
angle_coeff @angle:cc-cc-f harmonic 66.35 119.41 # SOURCE4 7 0.4917
angle_coeff @angle:c-cc-cg harmonic 64.98 118.14 # SOURCE4 7 0.7745
angle_coeff @angle:cc-cc-h4 harmonic 45.56 129.47 # SOURCE3 171 2.2734
angle_coeff @angle:cc-cc-ha harmonic 47.14 120.86 # CORR 1751
angle_coeff @angle:c-cc-cl harmonic 58.39 116.05 # CORR 24
angle_coeff @angle:cc-cc-n2 harmonic 69.48 121.15 # CORR 12
angle_coeff @angle:cc-cc-n harmonic 67.95 119.89 # SOURCE3 36 0.2095
angle_coeff @angle:cc-cc-na harmonic 72.21 106.80 # SOURCE3 33 0.6297
angle_coeff @angle:cc-cc-nc harmonic 67.53 121.69 # CORR 105
angle_coeff @angle:cc-cc-nd harmonic 71.15 112.56 # SOURCE3 141 4.2871
angle_coeff @angle:cc-cc-nh harmonic 68.41 119.51 # CORR 228
angle_coeff @angle:cc-cc-oh harmonic 68.53 121.96 # CORR 27
angle_coeff @angle:cc-cc-os harmonic 69.34 117.23 # CORR 211
angle_coeff @angle:cc-cc-pd harmonic 80.79 115.36 # SOURCE3 84 same_as_cd-cd-pc
angle_coeff @angle:cc-cc-ss harmonic 62.45 120.12 # CORR 31
angle_coeff @angle:cc-cc-sy harmonic 59.22 128.36 # SOURCE4 8 0.9813
angle_coeff @angle:c-c-cd harmonic 64.02 111.67 # SOURCE3 4 5.5146
angle_coeff @angle:cd-cc-cd harmonic 67.89 120.23 # CORR 133
angle_coeff @angle:cd-cc-ce harmonic 63.67 128.41 # CORR 210
angle_coeff @angle:cd-cc-cl harmonic 57.46 123.70 # CORR 62
angle_coeff @angle:cd-cc-f harmonic 67.42 121.08 # SOURCE4 28 0.8788
angle_coeff @angle:cd-cc-h4 harmonic 47.19 129.11 # SOURCE3 418 3.1355
angle_coeff @angle:cd-cc-ha harmonic 48.35 122.89 # SOURCE3 584 2.9334
angle_coeff @angle:cd-cc-n harmonic 70.72 115.52 # SOURCE3 52 1.3322
angle_coeff @angle:cd-cc-na harmonic 72.91 109.42 # SOURCE3 265 2.6051
angle_coeff @angle:cd-cc-nc harmonic 72.01 111.75 # CORR 1101
angle_coeff @angle:cd-cc-nh harmonic 68.69 123.89 # CORR 106
angle_coeff @angle:cd-cc-no harmonic 65.78 128.95 # SOURCE4 117 1.4740
angle_coeff @angle:cd-cc-oh harmonic 69.56 123.89 # CORR 106
angle_coeff @angle:cd-cc-os harmonic 69.96 120.30 # SOURCE3 64 5.4354
angle_coeff @angle:cd-cc-ss harmonic 65.44 111.55 # CORR 884
angle_coeff @angle:cd-cc-sy harmonic 60.54 124.91 # CORR 41
angle_coeff @angle:ce-cc-na harmonic 66.32 124.22 # CORR 48
angle_coeff @angle:ce-cc-nc harmonic 67.01 121.29 # CORR 37
angle_coeff @angle:ce-cc-nd harmonic 67.80 121.51 # CORR 37
angle_coeff @angle:ce-cc-os harmonic 68.17 119.03 # CORR 66
angle_coeff @angle:ce-cc-ss harmonic 61.83 121.44 # CORR 38
angle_coeff @angle:c-cc-f harmonic 66.16 116.87 # SOURCE4 16 0.5322
angle_coeff @angle:cg-cc-na harmonic 67.51 122.35 # SOURCE4 5 0.8112
angle_coeff @angle:cg-cc-ss harmonic 62.33 120.70 # SOURCE4 12 0.9090
angle_coeff @angle:cc-c-h4 harmonic 47.13 115.45 # SOURCE4 5 0.8021
angle_coeff @angle:c-cc-ha harmonic 46.99 117.02 # SOURCE3 56 1.9713
angle_coeff @angle:cl-cc-na harmonic 59.37 121.61 # SOURCE4 12 0.3436
angle_coeff @angle:cl-cc-nd harmonic 59.35 122.97 # CORR 6
angle_coeff @angle:cl-cc-ss harmonic 58.09 119.85 # SOURCE4 11 1.0626
angle_coeff @angle:c-cc-n2 harmonic 68.54 120.89 # CORR 2
angle_coeff @angle:c-cc-n harmonic 68.11 116.32 # CORR 21
angle_coeff @angle:cc-c-n harmonic 70.19 111.86 # SOURCE3 36 2.3407
angle_coeff @angle:c-cc-nc harmonic 66.19 123.47 # CORR 24
angle_coeff @angle:cc-c-nd harmonic 67.92 116.21 # CORR 33
angle_coeff @angle:c-cc-nd harmonic 67.50 121.67 # CORR 47
angle_coeff @angle:c-cc-ne harmonic 67.11 119.88 # SOURCE4 6 0.3139
angle_coeff @angle:cc-c-o harmonic 68.91 125.71 # SOURCE3 66 2.4784
angle_coeff @angle:c-cc-oh harmonic 70.04 113.64 # CORR 53
angle_coeff @angle:cc-c-oh harmonic 71.00 113.10 # CORR 85
angle_coeff @angle:c-cc-os harmonic 67.83 119.39 # CORR 78
angle_coeff @angle:cc-c-os harmonic 70.50 112.30 # SOURCE3 6 2.7842
angle_coeff @angle:cc-c-s harmonic 61.67 127.94 # SOURCE4 12 0.9342
angle_coeff @angle:cc-c-ss harmonic 63.47 112.52 # SOURCE4 10 0.6933
angle_coeff @angle:cx-cc-nd harmonic 65.61 127.75 # SOURCE4 12 1.7156
angle_coeff @angle:cx-cc-os harmonic 67.94 118.08 # SOURCE4 10 0.0955
angle_coeff @angle:cd-c-cd harmonic 64.80 116.04 # CORR 56
angle_coeff @angle:cd-c-cx harmonic 63.88 117.46 # SOURCE4 13 0.1625
angle_coeff @angle:cd-c-n harmonic 70.19 111.86 # SOURCE3 36 2.3407
angle_coeff @angle:cd-c-nc harmonic 67.92 116.21 # CORR 33
angle_coeff @angle:cd-c-nd harmonic 68.65 113.75 # SOURCE4 14 0.0860
angle_coeff @angle:cd-c-o harmonic 68.91 125.71 # SOURCE3 66 2.4784
angle_coeff @angle:cd-c-oh harmonic 71.00 113.10 # CORR 85
angle_coeff @angle:cd-c-os harmonic 70.50 112.30 # SOURCE3 6 2.7842
angle_coeff @angle:ce-c-ce harmonic 64.34 115.80 # CORR 74
angle_coeff @angle:ce-c-cf harmonic 64.04 116.89 # SOURCE4 11 1.6021
angle_coeff @angle:ce-c-cx harmonic 63.95 116.25 # SOURCE4 6 0.6351
angle_coeff @angle:ce-c-h4 harmonic 46.93 114.88 # SOURCE4 19 0.3355
angle_coeff @angle:ce-c-ha harmonic 46.93 115.22 # SOURCE3 7 2.4188
angle_coeff @angle:ce-c-n harmonic 68.80 115.27 # CORR 32
angle_coeff @angle:ce-c-o harmonic 69.27 122.92 # SOURCE3 17 3.5085
angle_coeff @angle:ce-c-oh harmonic 70.32 114.09 # CORR 128
angle_coeff @angle:ce-c-os harmonic 70.16 112.28 # CORR 149
angle_coeff @angle:ce-c-s harmonic 64.09 117.80 # SOURCE3 1 0.0000
angle_coeff @angle:ce-c-ss harmonic 63.94 110.39 # SOURCE4 5 0.6050
angle_coeff @angle:cf-c-cf harmonic 64.34 115.80 # CORR 74
angle_coeff @angle:cf-c-ha harmonic 46.93 115.22 # SOURCE3 7 same_as_ce-c-ha
angle_coeff @angle:cf-c-n harmonic 68.80 115.27 # CORR 32
angle_coeff @angle:cf-c-o harmonic 69.27 122.92 # SOURCE3 17 3.5085
angle_coeff @angle:cf-c-oh harmonic 70.32 114.09 # CORR 128
angle_coeff @angle:cf-c-os harmonic 70.16 112.28 # CORR 149
angle_coeff @angle:cf-c-s harmonic 64.09 117.80 # SOURCE3 1 same_as_ce-c-s
angle_coeff @angle:cg-c-cg harmonic 65.44 115.38 # SOURCE3 1 0.0000
angle_coeff @angle:cg-c-ha harmonic 47.80 113.90 # SOURCE2 1 0.0000
angle_coeff @angle:cg-c-o harmonic 70.21 122.31 # SOURCE3 2 0.0000
angle_coeff @angle:c-c-h4 harmonic 44.62 116.36 # SOURCE4 5 0.5586
angle_coeff @angle:h4-cc-n harmonic 50.39 117.62 # SOURCE3 53 0.9721
angle_coeff @angle:h4-cc-na harmonic 50.22 119.66 # SOURCE3 294 2.4702
angle_coeff @angle:h4-cc-nc harmonic 50.00 120.03 # SOURCE3 16 2.3863
angle_coeff @angle:h4-cc-nd harmonic 51.39 119.11 # SOURCE3 135 1.6946
angle_coeff @angle:h4-cc-os harmonic 52.27 111.89 # SOURCE3 61 2.3500
angle_coeff @angle:h4-cc-ss harmonic 42.95 117.75 # SOURCE3 40 3.1156
angle_coeff @angle:h5-cc-n harmonic 50.84 115.72 # CORR 20
angle_coeff @angle:h5-cc-na harmonic 49.76 122.10 # SOURCE3 16 1.4626
angle_coeff @angle:h5-cc-nc harmonic 49.29 123.70 # SOURCE3 6 0.3547
angle_coeff @angle:h5-cc-nd harmonic 50.13 125.38 # SOURCE3 40 2.2157
angle_coeff @angle:h5-cc-os harmonic 51.30 116.33 # SOURCE3 12 3.2919
angle_coeff @angle:h5-cc-ss harmonic 42.19 122.00 # SOURCE3 6 0.7237
angle_coeff @angle:c-c-ha harmonic 44.85 115.43 # SOURCE2 3 0.6549
angle_coeff @angle:ha-cc-na harmonic 49.82 121.50 # SOURCE2 1 0.0000
angle_coeff @angle:ha-cc-nc harmonic 50.73 116.54 # SOURCE3 5 1.4482
angle_coeff @angle:ha-cc-nd harmonic 51.41 118.88 # SOURCE3 20 2.8923
angle_coeff @angle:ha-cc-os harmonic 52.49 110.86 # SOURCE3 7 1.3846
angle_coeff @angle:ha-cc-pd harmonic 53.59 121.76 # SOURCE3 84 same_as_ha-cd-pc
angle_coeff @angle:ha-cc-ss harmonic 42.26 121.64 # SOURCE2 5 1.3276
angle_coeff @angle:ch-c-ch harmonic 65.44 115.38 # SOURCE3 1 same_as_cg-c-cg
angle_coeff @angle:ch-c-ha harmonic 47.80 113.90 # SOURCE2 1 same_as_cg-c-ha
angle_coeff @angle:ch-c-o harmonic 70.21 122.31 # SOURCE3 2 same_as_cg-c-o
angle_coeff @angle:cl-c-cl harmonic 54.78 111.30 # SOURCE2 1 0.0000
angle_coeff @angle:cl-c-f harmonic 59.05 112.00 # SOURCE2 1 0.0000
angle_coeff @angle:cl-c-ha harmonic 40.42 109.90 # SOURCE2 1 0.0000
angle_coeff @angle:cl-c-o harmonic 59.78 121.51 # SOURCE3 6 1.6987
angle_coeff @angle:cl-c-s harmonic 56.74 127.60 # SOURCE2 1 0.0000
angle_coeff @angle:c-c-n harmonic 67.53 112.14 # SOURCE4 53 2.1247
angle_coeff @angle:na-cc-nc harmonic 70.72 121.62 # CORR 231
angle_coeff @angle:na-cc-nd harmonic 74.78 112.02 # SOURCE3 17 2.2434
angle_coeff @angle:na-cc-no harmonic 68.48 124.90 # SOURCE4 48 0.7933
angle_coeff @angle:na-cc-oh harmonic 73.25 117.26 # SOURCE4 16 0.9090
angle_coeff @angle:na-cc-sx harmonic 63.25 117.04 # SOURCE4 13 0.4187
angle_coeff @angle:na-cc-sy harmonic 63.13 120.55 # SOURCE4 7 1.7547
angle_coeff @angle:nc-cc-nd harmonic 73.35 115.96 # CORR 222
angle_coeff @angle:nc-cc-nh harmonic 72.33 116.85 # CORR 35
angle_coeff @angle:nc-cc-no harmonic 69.31 121.54 # SOURCE4 7 0.9221
angle_coeff @angle:nc-cc-ss harmonic 64.63 119.86 # SOURCE3 2 0.0000
angle_coeff @angle:nd-cc-nd harmonic 70.88 128.17 # SOURCE4 7 0.0269
angle_coeff @angle:nd-cc-ne harmonic 69.29 129.66 # SOURCE4 7 0.4306
angle_coeff @angle:nd-cc-nh harmonic 72.41 120.11 # SOURCE3 5 0.9313
angle_coeff @angle:nd-cc-no harmonic 69.90 122.68 # SOURCE4 16 0.3393
angle_coeff @angle:nd-cc-oh harmonic 72.93 121.54 # CORR 22
angle_coeff @angle:nd-cc-os harmonic 73.85 116.29 # CORR 209
angle_coeff @angle:nd-cc-sh harmonic 62.75 124.92 # SOURCE4 5 0.9563
angle_coeff @angle:nd-cc-ss harmonic 66.51 114.51 # SOURCE3 8 0.3449
angle_coeff @angle:nd-cc-sx harmonic 60.81 127.60 # SOURCE4 14 1.1650
angle_coeff @angle:nd-cc-sy harmonic 62.75 123.08 # SOURCE4 13 1.0531
angle_coeff @angle:ne-cc-ss harmonic 65.39 116.99 # SOURCE4 7 0.1657
angle_coeff @angle:nh-cc-nh harmonic 72.93 115.96 # SOURCE3 1 0.0000
angle_coeff @angle:nh-cc-os harmonic 72.96 116.69 # CORR 25
angle_coeff @angle:nh-cc-ss harmonic 64.19 121.94 # CORR 91
angle_coeff @angle:n-cc-n2 harmonic 74.78 114.48 # SOURCE4 15 2.3208
angle_coeff @angle:n-cc-na harmonic 70.47 122.14 # CORR 59
angle_coeff @angle:n-cc-nc harmonic 69.35 125.66 # CORR 64
angle_coeff @angle:n-cc-nd harmonic 71.12 122.98 # CORR 229
angle_coeff @angle:n-cc-nh harmonic 72.22 116.87 # CORR 79
angle_coeff @angle:no-cc-os harmonic 71.01 117.59 # SOURCE4 62 0.2199
angle_coeff @angle:no-cc-ss harmonic 63.76 121.10 # SOURCE4 10 0.0957
angle_coeff @angle:n-cc-ss harmonic 63.75 123.03 # CORR 45
angle_coeff @angle:c-c-o harmonic 67.16 120.99 # SOURCE4 233 2.0333
angle_coeff @angle:c-c-oh harmonic 68.20 113.23 # SOURCE3 5 0.5615
angle_coeff @angle:c-c-os harmonic 68.18 111.39 # SOURCE4 14 0.4038
angle_coeff @angle:os-cc-ss harmonic 61.99 132.01 # SOURCE3 1 0.0000
angle_coeff @angle:ss-cc-ss harmonic 62.44 121.37 # CORR 22
angle_coeff @angle:ss-cc-sy harmonic 61.51 121.70 # CORR 39
angle_coeff @angle:cx-c-cx harmonic 85.45 64.60 # SOURCE2 1 0.0000
angle_coeff @angle:cx-c-n harmonic 68.69 114.49 # SOURCE4 23 1.4914
angle_coeff @angle:cx-c-o harmonic 68.88 122.82 # SOURCE4 97 2.2075
angle_coeff @angle:cx-c-oh harmonic 70.49 112.32 # SOURCE4 10 0.6413
angle_coeff @angle:cx-c-os harmonic 70.06 111.48 # SOURCE4 16 1.3998
angle_coeff @angle:cy-c-cy harmonic 70.14 90.55 # SOURCE2 2 2.4500
angle_coeff @angle:cy-c-n harmonic 75.43 91.54 # SOURCE4 249 0.5104
angle_coeff @angle:cy-c-o harmonic 64.27 135.04 # SOURCE4 253 1.3450
angle_coeff @angle:cy-c-oh harmonic 69.09 112.48 # SOURCE4 5 1.0793
angle_coeff @angle:cy-c-os harmonic 74.55 94.89 # SOURCE4 8 0.6016
angle_coeff @angle:c2-cd-c3 harmonic 63.27 126.11 # SOURCE3 2 0.0000
angle_coeff @angle:c2-cd-ca harmonic 65.34 124.66 # CORR 16
angle_coeff @angle:c2-cd-cc harmonic 69.09 117.02 # SOURCE3 2 same_as_c2-cc-cd
angle_coeff @angle:c2-cd-cd harmonic 66.24 121.77 # CORR 32
angle_coeff @angle:c2-cd-ha harmonic 48.69 122.72 # SOURCE3 2 same_as_c2-cc-ha
angle_coeff @angle:c2-cd-n harmonic 67.74 126.90 # SOURCE3 1 same_as_c2-cc-n
angle_coeff @angle:c2-cd-os harmonic 70.10 120.79 # CORR 13
angle_coeff @angle:c3-cd-ca harmonic 61.96 125.89 # CORR 127
angle_coeff @angle:c3-cd-cc harmonic 64.81 119.45 # SOURCE3 35 8.2040
angle_coeff @angle:c3-cd-cd harmonic 64.66 115.97 # SOURCE3 4 3.0507
angle_coeff @angle:c3-cd-ce harmonic 65.34 117.84 # CORR 2
angle_coeff @angle:c3-cd-ha harmonic 45.11 121.52 # SOURCE3 32 3.2091
angle_coeff @angle:c3-cd-n2 harmonic 65.80 126.87 # CORR 9
angle_coeff @angle:c3-cd-n harmonic 66.33 119.11 # CORR 68
angle_coeff @angle:c3-cd-na harmonic 65.50 122.78 # CORR 632
angle_coeff @angle:c3-cd-nc harmonic 66.32 122.13 # CORR 475
angle_coeff @angle:c3-cd-nd harmonic 65.90 120.94 # CORR 309
angle_coeff @angle:c3-cd-os harmonic 67.54 116.88 # CORR 203
angle_coeff @angle:c3-cd-ss harmonic 61.21 121.66 # CORR 171
angle_coeff @angle:ca-cd-cc harmonic 68.23 113.51 # SOURCE3 26 7.4229
angle_coeff @angle:ca-cd-cd harmonic 67.66 111.04 # SOURCE3 9 7.9455
angle_coeff @angle:ca-cd-ce harmonic 65.09 125.10 # SOURCE4 9 1.9265
angle_coeff @angle:ca-cd-h4 harmonic 45.57 128.66 # SOURCE3 10 3.1167
angle_coeff @angle:ca-cd-ha harmonic 46.40 124.04 # SOURCE3 34 3.6691
angle_coeff @angle:ca-cd-n harmonic 68.46 117.67 # CORR 18
angle_coeff @angle:ca-cd-na harmonic 67.03 123.45 # SOURCE4 39 1.9138
angle_coeff @angle:ca-cd-nc harmonic 67.92 123.02 # CORR 188
angle_coeff @angle:ca-cd-nd harmonic 67.69 120.67 # CORR 162
angle_coeff @angle:ca-cd-oh harmonic 69.61 117.71 # CORR 21
angle_coeff @angle:ca-cd-os harmonic 69.82 115.16 # CORR 134
angle_coeff @angle:ca-cd-ss harmonic 62.30 120.51 # CORR 43
angle_coeff @angle:c-cd-c2 harmonic 65.60 120.92 # CORR 22
angle_coeff @angle:c-cd-c3 harmonic 63.60 117.42 # CORR 126
angle_coeff @angle:c-cd-c harmonic 63.42 121.17 # CORR 64
angle_coeff @angle:c-cd-ca harmonic 63.55 122.95 # SOURCE3 1 same_as_c-cc-ca
angle_coeff @angle:c-cd-cc harmonic 65.25 121.42 # CORR 1708
angle_coeff @angle:cc-cd-cc harmonic 67.89 120.23 # CORR 133
angle_coeff @angle:cc-cd-cd harmonic 68.16 114.19 # SOURCE3 517 6.5960
angle_coeff @angle:cc-cd-cf harmonic 63.67 128.41 # CORR 210
angle_coeff @angle:cc-cd-ch harmonic 64.92 126.05 # SOURCE4 30 1.4695
angle_coeff @angle:cc-cd-cl harmonic 57.46 123.70 # CORR 62
angle_coeff @angle:cc-cd-cy harmonic 63.93 122.13 # SOURCE4 10 0.8509
angle_coeff @angle:c-cd-cd harmonic 63.72 122.69 # SOURCE3 2 0.0000
angle_coeff @angle:c-cd-cf harmonic 63.20 122.73 # CORR 10
angle_coeff @angle:cc-cd-h4 harmonic 47.19 129.11 # SOURCE3 418 3.1355
angle_coeff @angle:cc-cd-ha harmonic 48.35 122.89 # SOURCE3 584 2.9334
angle_coeff @angle:c-cd-cl harmonic 58.39 116.05 # CORR 24
angle_coeff @angle:cc-cd-n harmonic 70.72 115.52 # SOURCE3 52 1.3322
angle_coeff @angle:cc-cd-na harmonic 72.91 109.42 # SOURCE3 265 2.6051
angle_coeff @angle:cc-cd-nc harmonic 69.42 123.82 # SOURCE4 14 0.3678
angle_coeff @angle:cc-cd-nd harmonic 72.01 111.75 # CORR 1101
angle_coeff @angle:cc-cd-nh harmonic 68.69 123.89 # CORR 106
angle_coeff @angle:cc-cd-oh harmonic 69.56 123.89 # CORR 106
angle_coeff @angle:cc-cd-os harmonic 69.96 120.30 # SOURCE3 64 5.4354
angle_coeff @angle:cc-cd-ss harmonic 65.44 111.55 # CORR 884
angle_coeff @angle:cc-cd-sy harmonic 60.54 124.91 # CORR 41
angle_coeff @angle:cd-cd-cd harmonic 67.88 110.70 # SOURCE3 54 3.4091
angle_coeff @angle:cd-cd-ce harmonic 65.88 122.59 # CORR 39
angle_coeff @angle:cd-cd-cf harmonic 62.78 127.20 # CORR 42
angle_coeff @angle:cd-cd-ch harmonic 63.63 126.15 # CORR 27
angle_coeff @angle:cd-cd-cy harmonic 63.17 120.93 # SOURCE4 6 1.2205
angle_coeff @angle:cd-cd-h4 harmonic 45.56 129.47 # SOURCE3 171 2.2734
angle_coeff @angle:cd-cd-ha harmonic 47.14 120.86 # CORR 1751
angle_coeff @angle:cd-cd-n2 harmonic 69.48 121.15 # CORR 12
angle_coeff @angle:cd-cd-n harmonic 67.95 119.89 # SOURCE3 36 0.2095
angle_coeff @angle:cd-cd-na harmonic 72.21 106.80 # SOURCE3 33 same_as_cc-cc-na
angle_coeff @angle:cd-cd-nc harmonic 71.15 112.56 # SOURCE3 141 4.2871
angle_coeff @angle:cd-cd-nd harmonic 67.53 121.69 # CORR 105
angle_coeff @angle:cd-cd-nh harmonic 68.41 119.51 # CORR 228
angle_coeff @angle:cd-cd-oh harmonic 68.53 121.96 # CORR 27
angle_coeff @angle:cd-cd-os harmonic 69.34 117.23 # CORR 211
angle_coeff @angle:cd-cd-pc harmonic 80.79 115.36 # SOURCE3 84 3.2889
angle_coeff @angle:cd-cd-ss harmonic 62.45 120.12 # CORR 31
angle_coeff @angle:ce-cd-nd harmonic 68.22 124.90 # SOURCE4 5 2.3975
angle_coeff @angle:cf-cd-na harmonic 66.32 124.22 # CORR 48
angle_coeff @angle:cf-cd-nc harmonic 67.80 121.51 # CORR 37
angle_coeff @angle:cf-cd-nd harmonic 67.01 121.29 # CORR 37
angle_coeff @angle:cf-cd-os harmonic 68.17 119.03 # CORR 66
angle_coeff @angle:cf-cd-ss harmonic 61.83 121.44 # CORR 38
angle_coeff @angle:c-cd-h4 harmonic 46.77 118.19 # SOURCE4 8 0.2226
angle_coeff @angle:c-cd-ha harmonic 46.99 117.02 # SOURCE3 56 1.9713
angle_coeff @angle:cl-cd-nc harmonic 59.35 122.97 # CORR 6
angle_coeff @angle:c-cd-n2 harmonic 68.54 120.89 # CORR 2
angle_coeff @angle:c-cd-n harmonic 68.11 116.32 # CORR 21
angle_coeff @angle:c-cd-nc harmonic 67.50 121.67 # CORR 47
angle_coeff @angle:c-cd-nd harmonic 66.19 123.47 # CORR 24
angle_coeff @angle:c-cd-oh harmonic 70.04 113.64 # CORR 53
angle_coeff @angle:c-cd-os harmonic 67.83 119.39 # CORR 78
angle_coeff @angle:h4-cd-n harmonic 50.39 117.62 # SOURCE3 53 0.9721
angle_coeff @angle:h4-cd-na harmonic 50.22 119.66 # SOURCE3 294 2.4702
angle_coeff @angle:h4-cd-nc harmonic 51.39 119.11 # SOURCE3 135 1.6946
angle_coeff @angle:h4-cd-nd harmonic 50.00 120.03 # SOURCE3 16 2.3863
angle_coeff @angle:h4-cd-os harmonic 52.27 111.89 # SOURCE3 61 2.3500
angle_coeff @angle:h4-cd-ss harmonic 42.95 117.75 # SOURCE3 40 3.1156
angle_coeff @angle:h5-cd-n harmonic 50.84 115.72 # CORR 20
angle_coeff @angle:h5-cd-na harmonic 49.76 122.10 # SOURCE3 16 1.4626
angle_coeff @angle:h5-cd-nc harmonic 50.13 125.38 # SOURCE3 40 2.2157
angle_coeff @angle:h5-cd-nd harmonic 49.29 123.70 # SOURCE3 6 0.3547
angle_coeff @angle:h5-cd-os harmonic 51.30 116.33 # SOURCE3 12 3.2919
angle_coeff @angle:h5-cd-ss harmonic 42.19 122.00 # SOURCE3 6 0.7237
angle_coeff @angle:ha-cd-na harmonic 49.82 121.50 # SOURCE2 1 same_as_ha-cc-na
angle_coeff @angle:ha-cd-nc harmonic 51.41 118.88 # SOURCE3 20 2.8923
angle_coeff @angle:ha-cd-nd harmonic 50.73 116.54 # SOURCE3 5 1.4482
angle_coeff @angle:ha-cd-os harmonic 52.49 110.86 # SOURCE3 7 1.3846
angle_coeff @angle:ha-cd-pc harmonic 53.59 121.76 # SOURCE3 84 2.2216
angle_coeff @angle:ha-cd-ss harmonic 42.26 121.64 # SOURCE2 5 same_as_ha-cc-ss
angle_coeff @angle:na-cd-nc harmonic 74.78 112.02 # SOURCE3 17 2.2434
angle_coeff @angle:na-cd-nd harmonic 70.72 121.62 # CORR 231
angle_coeff @angle:na-cd-nh harmonic 72.43 116.98 # SOURCE4 46 1.4937
angle_coeff @angle:na-cd-ss harmonic 67.07 111.46 # SOURCE4 20 0.8600
angle_coeff @angle:nc-cd-nd harmonic 73.35 115.96 # CORR 222
angle_coeff @angle:nc-cd-nh harmonic 72.41 120.11 # SOURCE3 5 0.9313
angle_coeff @angle:nc-cd-oh harmonic 72.93 121.54 # CORR 22
angle_coeff @angle:nc-cd-os harmonic 73.85 116.29 # CORR 209
angle_coeff @angle:nc-cd-ss harmonic 66.51 114.51 # SOURCE3 8 0.3449
angle_coeff @angle:nd-cd-nd harmonic 69.47 125.58 # SOURCE4 13 0.4672
angle_coeff @angle:nd-cd-nh harmonic 72.33 116.85 # CORR 35
angle_coeff @angle:nd-cd-ss harmonic 64.63 119.86 # SOURCE3 2 same_as_nc-cc-ss
angle_coeff @angle:nh-cd-nh harmonic 72.93 115.96 # SOURCE3 1 same_as_nh-cc-nh
angle_coeff @angle:nh-cd-os harmonic 72.96 116.69 # CORR 25
angle_coeff @angle:nh-cd-ss harmonic 64.19 121.94 # CORR 91
angle_coeff @angle:n-cd-na harmonic 70.47 122.14 # CORR 59
angle_coeff @angle:n-cd-nc harmonic 71.12 122.98 # CORR 229
angle_coeff @angle:n-cd-nd harmonic 69.35 125.66 # CORR 64
angle_coeff @angle:n-cd-nh harmonic 72.22 116.87 # CORR 79
angle_coeff @angle:n-cd-ss harmonic 63.75 123.03 # CORR 45
angle_coeff @angle:oh-cd-os harmonic 75.54 111.61 # SOURCE4 6 1.1909
angle_coeff @angle:os-cd-ss harmonic 61.99 132.01 # SOURCE3 1 same_as_os-cc-ss
angle_coeff @angle:ss-cd-ss harmonic 62.44 121.37 # CORR 22
angle_coeff @angle:ss-cd-sy harmonic 61.51 121.70 # CORR 39
angle_coeff @angle:c2-ce-c3 harmonic 64.30 122.89 # SOURCE3 7 1.0449
angle_coeff @angle:c2-ce-ca harmonic 65.16 123.08 # SOURCE3 6 2.1589
angle_coeff @angle:c2-ce-cc harmonic 65.62 123.27 # CORR 72
angle_coeff @angle:c2-ce-ce harmonic 65.73 123.08 # SOURCE3 12 0.6518
angle_coeff @angle:c2-ce-cg harmonic 66.66 121.67 # CORR 21
angle_coeff @angle:c2-ce-cl harmonic 57.87 119.51 # SOURCE4 24 1.4963
angle_coeff @angle:c2-ce-h4 harmonic 48.64 125.58 # SOURCE4 11 0.9381
angle_coeff @angle:c2-ce-ha harmonic 49.56 121.10 # SOURCE3 46 2.4054
angle_coeff @angle:c2-ce-n1 harmonic 72.67 117.85 # SOURCE4 7 0.3180
angle_coeff @angle:c2-ce-n2 harmonic 70.34 128.70 # SOURCE3 1 0.0000
angle_coeff @angle:c2-ce-na harmonic 69.29 119.19 # SOURCE4 5 0.8452
angle_coeff @angle:c2-ce-ne harmonic 69.73 118.32 # SOURCE3 7 1.0468
angle_coeff @angle:c2-ce-oh harmonic 70.32 123.78 # SOURCE4 10 1.8182
angle_coeff @angle:c2-ce-p2 harmonic 77.91 118.24 # SOURCE3 1
angle_coeff @angle:c2-ce-pe harmonic 77.59 118.76 # SOURCE3 8 2.3984
angle_coeff @angle:c2-ce-px harmonic 77.17 119.72 # SOURCE3 6 0.5213
angle_coeff @angle:c2-ce-py harmonic 77.39 122.13 # SOURCE3 5 3.1367
angle_coeff @angle:c2-ce-sx harmonic 61.64 119.87 # SOURCE3 5 0.8557
angle_coeff @angle:c2-ce-sy harmonic 61.96 120.35 # SOURCE3 5 0.5401
angle_coeff @angle:c3-ce-ca harmonic 62.76 119.28 # CORR 178
angle_coeff @angle:c3-ce-cc harmonic 63.42 118.22 # CORR 39
angle_coeff @angle:c3-ce-ce harmonic 63.80 116.99 # CORR 244
angle_coeff @angle:c3-ce-cf harmonic 64.52 122.11 # CORR 221
angle_coeff @angle:c3-ce-cg harmonic 63.79 118.48 # SOURCE4 8 1.4756
angle_coeff @angle:c3-ce-n2 harmonic 66.92 122.70 # CORR 81
angle_coeff @angle:c3-ce-nf harmonic 67.26 120.75 # SOURCE4 6 2.1938
angle_coeff @angle:c3-ce-nh harmonic 65.76 119.90 # SOURCE4 5 0.9634
angle_coeff @angle:ca-ce-ca harmonic 63.94 117.58 # CORR 112
angle_coeff @angle:ca-ce-cc harmonic 64.21 118.06 # CORR 17
angle_coeff @angle:ca-ce-ce harmonic 63.84 119.62 # SOURCE4 14 1.9171
angle_coeff @angle:ca-ce-cf harmonic 64.07 127.39 # CORR 318
angle_coeff @angle:ca-ce-cl harmonic 57.99 114.22 # SOURCE4 6 1.3164
angle_coeff @angle:ca-ce-h4 harmonic 46.71 116.86 # SOURCE4 74 0.9179
angle_coeff @angle:ca-ce-ha harmonic 47.07 115.16 # CORR 345
angle_coeff @angle:ca-ce-n2 harmonic 68.51 120.72 # SOURCE3 1 0.0000
angle_coeff @angle:ca-ce-nf harmonic 67.74 122.66 # CORR 22
angle_coeff @angle:ca-ce-nh harmonic 67.87 115.51 # SOURCE4 93 0.9284
angle_coeff @angle:ca-ce-oh harmonic 68.85 116.37 # CORR 11
angle_coeff @angle:ca-ce-os harmonic 68.60 115.58 # SOURCE4 8 1.0735
angle_coeff @angle:ca-ce-ss harmonic 61.21 117.73 # SOURCE4 5 1.1596
angle_coeff @angle:c-ce-c2 harmonic 65.82 120.42 # SOURCE3 13 1.8877
angle_coeff @angle:c-ce-c3 harmonic 63.35 116.92 # CORR 188
angle_coeff @angle:c-ce-c harmonic 62.59 122.38 # CORR 23
angle_coeff @angle:c-ce-ca harmonic 63.79 117.98 # SOURCE4 8 1.5129
angle_coeff @angle:cc-ce-cd harmonic 63.28 130.36 # SOURCE4 5 2.3402
angle_coeff @angle:cc-ce-cf harmonic 64.87 126.20 # CORR 88
angle_coeff @angle:c-ce-cd harmonic 63.81 126.07 # CORR 2
angle_coeff @angle:c-ce-ce harmonic 63.46 120.89 # SOURCE4 16 1.8719
angle_coeff @angle:c-ce-cf harmonic 64.26 126.41 # SOURCE3 2 5.7847
angle_coeff @angle:c-ce-cg harmonic 64.57 118.32 # SOURCE4 15 1.0595
angle_coeff @angle:cc-ce-h4 harmonic 47.52 115.40 # SOURCE4 29 0.8744
angle_coeff @angle:cc-ce-ha harmonic 47.53 115.45 # CORR 113
angle_coeff @angle:c-ce-cl harmonic 57.67 115.40 # SOURCE4 6 1.0958
angle_coeff @angle:cc-ce-n2 harmonic 68.94 121.28 # CORR 69
angle_coeff @angle:cc-ce-nh harmonic 67.31 119.17 # SOURCE4 8 2.1378
angle_coeff @angle:c-ce-cy harmonic 72.72 88.22 # SOURCE4 19 0.3234
angle_coeff @angle:cd-ce-ce harmonic 64.81 124.49 # CORR 12
angle_coeff @angle:cd-ce-ha harmonic 49.97 115.48 # CORR 39
angle_coeff @angle:ce-ce-ce harmonic 64.55 118.74 # SOURCE3 1 0.0000
angle_coeff @angle:ce-ce-cf harmonic 65.46 124.19 # CORR 341
angle_coeff @angle:ce-ce-cl harmonic 57.29 117.93 # SOURCE4 12 0.2639
angle_coeff @angle:ce-ce-h4 harmonic 47.06 117.97 # CORR 19
angle_coeff @angle:ce-ce-ha harmonic 47.50 115.90 # SOURCE3 12 0.4670
angle_coeff @angle:ce-ce-n1 harmonic 66.79 127.15 # CORR 4
angle_coeff @angle:ce-ce-n2 harmonic 69.57 119.33 # CORR 13
angle_coeff @angle:ce-ce-oh harmonic 69.29 116.89 # SOURCE4 11 2.0380
angle_coeff @angle:cf-ce-cg harmonic 66.10 123.79 # CORR 41
angle_coeff @angle:cf-ce-cy harmonic 60.53 137.74 # SOURCE4 13 0.3952
angle_coeff @angle:cf-ce-h4 harmonic 49.02 123.76 # SOURCE4 5 1.0909
angle_coeff @angle:cf-ce-ha harmonic 50.21 118.12 # CORR 655
angle_coeff @angle:cf-ce-n1 harmonic 72.03 120.03 # SOURCE4 6 1.9451
angle_coeff @angle:cf-ce-n harmonic 72.60 108.25 # CORR 64
angle_coeff @angle:cf-ce-nh harmonic 69.48 121.52 # SOURCE4 12 2.0106
angle_coeff @angle:cf-ce-oh harmonic 70.92 121.78 # CORR 24
angle_coeff @angle:cg-ce-cg harmonic 65.58 118.26 # CORR 7
angle_coeff @angle:cg-ce-ha harmonic 47.93 116.54 # CORR 18
angle_coeff @angle:cg-ce-n1 harmonic 69.49 119.50 # CORR 2
angle_coeff @angle:cg-ce-n2 harmonic 69.59 121.43 # SOURCE4 6 0.8382
angle_coeff @angle:c-ce-ha harmonic 46.59 117.26 # SOURCE3 11 2.7158
angle_coeff @angle:c-ce-n harmonic 66.20 118.62 # CORR 137
angle_coeff @angle:c-ce-nh harmonic 67.79 115.62 # CORR 19
angle_coeff @angle:c-ce-oh harmonic 68.34 117.92 # SOURCE4 5 1.4580
angle_coeff @angle:c-ce-os harmonic 69.09 113.78 # SOURCE4 21 1.8258
angle_coeff @angle:h4-ce-n1 harmonic 52.58 116.36 # SOURCE4 7 0.2182
angle_coeff @angle:h4-ce-n2 harmonic 52.36 121.58 # CORR 116
angle_coeff @angle:h4-ce-ne harmonic 49.72 115.81 # SOURCE4 7 1.9836
angle_coeff @angle:ha-ce-n1 harmonic 52.70 115.96 # CORR 4
angle_coeff @angle:ha-ce-n2 harmonic 52.85 119.51 # SOURCE3 2 0.4623
angle_coeff @angle:ha-ce-ne harmonic 49.16 118.59 # SOURCE3 5 1.1113
angle_coeff @angle:ha-ce-nh harmonic 50.62 114.99 # CORR 2
angle_coeff @angle:ha-ce-p2 harmonic 51.40 120.11 # SOURCE3 1
angle_coeff @angle:ha-ce-pe harmonic 51.44 119.33 # SOURCE3 6 0.8966
angle_coeff @angle:ha-ce-px harmonic 51.66 117.90 # SOURCE3 6 0.1809
angle_coeff @angle:ha-ce-py harmonic 52.32 118.72 # SOURCE3 3 0.3064
angle_coeff @angle:ha-ce-sx harmonic 41.85 115.45 # SOURCE3 3 0.6640
angle_coeff @angle:ha-ce-sy harmonic 42.34 114.86 # SOURCE3 3 0.4717
angle_coeff @angle:n2-ce-nh harmonic 71.56 124.96 # CORR 92
angle_coeff @angle:n2-ce-os harmonic 74.58 118.13 # SOURCE4 6 0.1367
angle_coeff @angle:n2-ce-ss harmonic 64.40 117.23 # SOURCE4 6 2.0518
angle_coeff @angle:ne-ce-ne harmonic 68.07 123.87 # SOURCE3 1 0.0000
angle_coeff @angle:ne-ce-nh harmonic 71.89 112.91 # SOURCE4 12 1.1263
angle_coeff @angle:nf-ce-nh harmonic 73.31 118.13 # SOURCE4 6 0.5842
angle_coeff @angle:pe-ce-pe harmonic 92.40 129.79 # SOURCE3 1 0.0000
angle_coeff @angle:py-ce-py harmonic 102.62 108.06 # SOURCE3 1 0.0000
angle_coeff @angle:sx-ce-sx harmonic 60.61 120.32 # SOURCE3 1 0.0000
angle_coeff @angle:sy-ce-sy harmonic 61.21 119.97 # SOURCE3 1 0.0000
angle_coeff @angle:c2-cf-c3 harmonic 64.30 122.89 # SOURCE3 7 same_as_c2-ce-c3
angle_coeff @angle:c2-cf-ca harmonic 65.16 123.08 # SOURCE3 6 same_as_c2-ce-ca
angle_coeff @angle:c2-cf-cd harmonic 65.62 123.27 # CORR 72
angle_coeff @angle:c2-cf-cf harmonic 65.73 123.08 # SOURCE3 12 same_as_c2-ce-ce
angle_coeff @angle:c2-cf-ch harmonic 66.66 121.67 # CORR 21
angle_coeff @angle:c2-cf-ha harmonic 49.56 121.10 # SOURCE3 46 same_as_c2-ce-ha
angle_coeff @angle:c2-cf-n2 harmonic 70.34 128.70 # SOURCE3 1 same_as_c2-ce-n2
angle_coeff @angle:c2-cf-nf harmonic 69.73 118.32 # SOURCE3 7 same_as_c2-ce-ne
angle_coeff @angle:c2-cf-p2 harmonic 77.91 118.24 # SOURCE3 1 same_as_c2-ce-p2
angle_coeff @angle:c2-cf-pf harmonic 77.59 118.76 # SOURCE3 8 same_as_c2-ce-pe
angle_coeff @angle:c2-cf-px harmonic 77.17 119.72 # SOURCE3 6 same_as_c2-ce-px
angle_coeff @angle:c2-cf-py harmonic 77.39 122.13 # SOURCE3 5 same_as_c2-ce-py
angle_coeff @angle:c2-cf-sx harmonic 61.64 119.87 # SOURCE3 5 same_as_c2-ce-sx
angle_coeff @angle:c2-cf-sy harmonic 61.96 120.35 # SOURCE3 5 same_as_c2-ce-sy
angle_coeff @angle:c3-cf-ca harmonic 62.76 119.28 # CORR 178
angle_coeff @angle:c3-cf-cd harmonic 63.42 118.22 # CORR 39
angle_coeff @angle:c3-cf-ce harmonic 64.52 122.11 # CORR 221
angle_coeff @angle:c3-cf-cf harmonic 63.80 116.99 # CORR 244
angle_coeff @angle:c3-cf-n2 harmonic 66.92 122.70 # CORR 81
angle_coeff @angle:ca-cf-ca harmonic 63.94 117.58 # CORR 112
angle_coeff @angle:ca-cf-cc harmonic 62.70 130.80 # SOURCE4 12 1.2696
angle_coeff @angle:ca-cf-cd harmonic 64.21 118.06 # CORR 17
angle_coeff @angle:ca-cf-ce harmonic 64.07 127.39 # CORR 318
angle_coeff @angle:ca-cf-ha harmonic 47.07 115.16 # CORR 345
angle_coeff @angle:ca-cf-n2 harmonic 68.51 120.72 # SOURCE3 1 same_as_ca-ce-n2
angle_coeff @angle:ca-cf-ne harmonic 67.74 122.66 # CORR 22
angle_coeff @angle:ca-cf-oh harmonic 68.85 116.37 # CORR 11
angle_coeff @angle:c-cf-c2 harmonic 65.82 120.42 # SOURCE3 13 same_as_c-ce-c2
angle_coeff @angle:c-cf-c3 harmonic 63.35 116.92 # CORR 188
angle_coeff @angle:c-cf-c harmonic 62.59 122.38 # CORR 23
angle_coeff @angle:c-cf-cc harmonic 63.81 126.07 # CORR 2
angle_coeff @angle:cc-cf-cf harmonic 64.81 124.49 # CORR 12
angle_coeff @angle:c-cf-cd harmonic 64.25 117.76 # SOURCE4 10 1.2451
angle_coeff @angle:c-cf-ce harmonic 64.26 126.41 # SOURCE3 2 same_as_c-ce-cf
angle_coeff @angle:cc-cf-ha harmonic 49.97 115.48 # CORR 39
angle_coeff @angle:cd-cf-ce harmonic 64.87 126.20 # CORR 88
angle_coeff @angle:cd-cf-ha harmonic 47.53 115.45 # CORR 113
angle_coeff @angle:cd-cf-n2 harmonic 68.94 121.28 # CORR 69
angle_coeff @angle:ce-cf-cf harmonic 65.46 124.19 # CORR 341
angle_coeff @angle:ce-cf-ch harmonic 66.10 123.79 # CORR 41
angle_coeff @angle:ce-cf-ha harmonic 50.21 118.12 # CORR 655
angle_coeff @angle:ce-cf-n harmonic 72.60 108.25 # CORR 64
angle_coeff @angle:ce-cf-oh harmonic 70.92 121.78 # CORR 24
angle_coeff @angle:cf-cf-cf harmonic 64.55 118.74 # SOURCE3 1 same_as_ce-ce-ce
angle_coeff @angle:cf-cf-h4 harmonic 47.06 117.97 # CORR 19
angle_coeff @angle:cf-cf-ha harmonic 47.50 115.90 # SOURCE3 12 0.4670
angle_coeff @angle:cf-cf-n1 harmonic 66.79 127.15 # CORR 4
angle_coeff @angle:cf-cf-n2 harmonic 69.57 119.33 # CORR 13
angle_coeff @angle:c-cf-ha harmonic 46.59 117.26 # SOURCE3 11 2.7158
angle_coeff @angle:ch-cf-ch harmonic 65.58 118.26 # CORR 7
angle_coeff @angle:ch-cf-ha harmonic 47.93 116.54 # CORR 18
angle_coeff @angle:ch-cf-n1 harmonic 69.49 119.50 # CORR 2
angle_coeff @angle:c-cf-n2 harmonic 70.16 114.88 # SOURCE4 5 1.3647
angle_coeff @angle:c-cf-n harmonic 66.20 118.62 # CORR 137
angle_coeff @angle:c-cf-nh harmonic 67.79 115.62 # CORR 19
angle_coeff @angle:f-c-f harmonic 72.22 107.35 # SOURCE2 2 0.2500
angle_coeff @angle:h4-cf-n2 harmonic 52.36 121.58 # CORR 116
angle_coeff @angle:h4-cf-ne harmonic 52.29 120.21 # SOURCE4 6 0.8104
angle_coeff @angle:ha-cf-n1 harmonic 52.70 115.96 # CORR 4
angle_coeff @angle:ha-cf-n2 harmonic 52.85 119.51 # SOURCE3 2 same_as_ha-ce-n2
angle_coeff @angle:ha-cf-nf harmonic 49.16 118.59 # SOURCE3 5 same_as_ha-ce-ne
angle_coeff @angle:ha-cf-nh harmonic 50.62 114.99 # CORR 2
angle_coeff @angle:ha-cf-p2 harmonic 51.40 120.11 # SOURCE3 1 same_as_ha-ce-p2
angle_coeff @angle:ha-cf-pf harmonic 51.44 119.33 # SOURCE3 6 same_as_ha-ce-pe
angle_coeff @angle:ha-cf-px harmonic 51.66 117.90 # SOURCE3 6 same_as_ha-ce-px
angle_coeff @angle:ha-cf-py harmonic 52.32 118.72 # SOURCE3 3 same_as_ha-ce-py
angle_coeff @angle:ha-cf-sx harmonic 41.85 115.45 # SOURCE3 3 same_as_ha-ce-sx
angle_coeff @angle:ha-cf-sy harmonic 42.34 114.86 # SOURCE3 3 same_as_ha-ce-sy
angle_coeff @angle:n2-cf-nh harmonic 71.56 124.96 # CORR 92
angle_coeff @angle:nf-cf-nf harmonic 68.07 123.87 # SOURCE3 1 same_as_ne-ce-ne
angle_coeff @angle:f-c-o harmonic 73.21 123.44 # SOURCE3 1
angle_coeff @angle:pf-cf-pf harmonic 92.40 129.79 # SOURCE3 1 same_as_pe-ce-pe
angle_coeff @angle:py-cf-py harmonic 102.62 108.06 # SOURCE3 1 same_as_py-ce-py
angle_coeff @angle:f-c-s harmonic 63.41 124.00 # SOURCE2 1 0.0000
angle_coeff @angle:sx-cf-sx harmonic 60.61 120.32 # SOURCE3 1 same_as_sx-ce-sx
angle_coeff @angle:sy-cf-sy harmonic 61.21 119.97 # SOURCE3 1 same_as_sy-ce-sy
angle_coeff @angle:c1-cg-ca harmonic 56.52 179.52 # CORR 19
angle_coeff @angle:c1-cg-cc harmonic 56.97 178.60 # SOURCE4 6 0.3822
angle_coeff @angle:c1-cg-ce harmonic 56.95 178.05 # CORR 7
angle_coeff @angle:c1-cg-cg harmonic 58.17 179.70 # CORR 18
angle_coeff @angle:c1-cg-ne harmonic 62.73 170.02 # SOURCE3 4 1.1724
angle_coeff @angle:c1-cg-pe harmonic 71.80 173.29 # SOURCE3 11 4.9305
angle_coeff @angle:ca-cg-ch harmonic 56.91 179.64 # CORR 13
angle_coeff @angle:ca-cg-n1 harmonic 58.93 179.43 # CORR 103
angle_coeff @angle:c-cg-c1 harmonic 56.19 179.14 # SOURCE3 2 0.0000
angle_coeff @angle:cc-cg-n1 harmonic 59.43 178.54 # CORR 50
angle_coeff @angle:ce-cg-ch harmonic 57.39 177.94 # CORR 17
angle_coeff @angle:ce-cg-n1 harmonic 59.39 177.97 # CORR 67
angle_coeff @angle:n1-cg-ne harmonic 64.98 174.44 # CORR 17
angle_coeff @angle:h4-c-o harmonic 54.28 120.93 # SOURCE4 129 0.5769
angle_coeff @angle:h5-c-n harmonic 52.39 112.19 # SOURCE4 33 0.4220
angle_coeff @angle:h5-c-o harmonic 53.89 123.26 # SOURCE4 38 0.4806
angle_coeff @angle:ha-c-ha harmonic 37.86 115.61 # SOURCE3 4 0.0458
angle_coeff @angle:ha-c-i harmonic 36.71 110.58 # SOURCE3 1 0.0000
angle_coeff @angle:ha-c-n harmonic 52.40 112.37 # SOURCE3 4 0.6424
angle_coeff @angle:ha-c-o harmonic 54.27 121.94 # SOURCE3 51 2.3235
angle_coeff @angle:ha-c-oh harmonic 53.97 111.82 # SOURCE3 4 1.9375
angle_coeff @angle:ha-c-os harmonic 53.24 110.34 # SOURCE3 8 1.9344
angle_coeff @angle:ha-c-s harmonic 44.27 119.56 # SOURCE3 3 0.7586
angle_coeff @angle:c1-ch-ca harmonic 56.52 179.52 # CORR 19
angle_coeff @angle:c1-ch-cf harmonic 56.95 178.05 # CORR 7
angle_coeff @angle:c1-ch-ch harmonic 58.17 179.70 # CORR 18
angle_coeff @angle:c1-ch-nf harmonic 62.73 170.02 # SOURCE3 4 same_as_c1-cg-ne
angle_coeff @angle:c1-ch-pf harmonic 71.80 173.29 # SOURCE3 11 same_as_c1-cg-pe
angle_coeff @angle:ca-ch-cg harmonic 56.91 179.64 # CORR 13
angle_coeff @angle:ca-ch-n1 harmonic 58.93 179.43 # CORR 103
angle_coeff @angle:c-ch-c1 harmonic 56.19 179.14 # SOURCE3 2 same_as_c-cg-c1
angle_coeff @angle:cd-ch-n1 harmonic 59.43 178.54 # CORR 50
angle_coeff @angle:cf-ch-cg harmonic 57.39 177.94 # CORR 17
angle_coeff @angle:cf-ch-n1 harmonic 59.39 177.97 # CORR 67
angle_coeff @angle:cg-ch-ch harmonic 58.68 179.67 # SOURCE4 7 0.1439
angle_coeff @angle:n1-ch-nf harmonic 64.98 174.44 # CORR 17
angle_coeff @angle:i-c-i harmonic 59.79 116.45 # SOURCE3 1 0.0000
angle_coeff @angle:i-c-o harmonic 55.51 122.02 # SOURCE3 4 1.2961
angle_coeff @angle:f-cl-f harmonic 0.00 87.50 # SOURCE2 1 estimated_force_constant
angle_coeff @angle:n2-c-n2 harmonic 71.83 110.31 # SOURCE3 1
angle_coeff @angle:n2-c-o harmonic 73.02 122.50 # SOURCE3 1
angle_coeff @angle:n4-c-n4 harmonic 64.71 114.64 # SOURCE3 1 0.0000
angle_coeff @angle:n4-c-o harmonic 69.58 118.83 # SOURCE3 4 3.8516
angle_coeff @angle:nc-c-o harmonic 73.92 122.97 # CORR 121
angle_coeff @angle:nd-c-o harmonic 73.92 122.97 # CORR 121
angle_coeff @angle:ne-c-ne harmonic 73.21 110.31 # CORR 2
angle_coeff @angle:ne-c-o harmonic 72.96 125.91 # CORR 42
angle_coeff @angle:nf-c-nf harmonic 73.21 110.31 # CORR 2
angle_coeff @angle:nf-c-o harmonic 72.96 125.91 # CORR 42
angle_coeff @angle:n-c-n harmonic 74.80 113.38 # SOURCE4 635 1.4358
angle_coeff @angle:n-c-nc harmonic 72.35 117.05 # CORR 77
angle_coeff @angle:n-c-nd harmonic 72.35 117.05 # CORR 77
angle_coeff @angle:n-c-ne harmonic 74.43 110.37 # SOURCE4 10 1.7492
angle_coeff @angle:n-c-o harmonic 75.83 122.03 # SOURCE3 221 2.3565
angle_coeff @angle:n-c-oh harmonic 76.22 113.63 # SOURCE4 5 1.1209
angle_coeff @angle:no-c-no harmonic 66.54 109.28 # SOURCE3 1
angle_coeff @angle:no-c-o harmonic 67.95 125.36 # SOURCE3 1
angle_coeff @angle:n-c-os harmonic 76.68 109.28 # SOURCE4 318 0.8749
angle_coeff @angle:n-c-s harmonic 65.73 123.88 # SOURCE3 5 1.2935
angle_coeff @angle:n-c-sh harmonic 65.61 112.61 # SOURCE4 8 1.2601
angle_coeff @angle:n-c-ss harmonic 66.85 110.42 # SOURCE4 59 1.5507
angle_coeff @angle:oh-c-oh harmonic 78.91 110.56 # SOURCE3 2 0.5498
angle_coeff @angle:oh-c-s harmonic 66.64 123.44 # SOURCE3 1 0.0000
angle_coeff @angle:o-c-o harmonic 78.17 130.38 # SOURCE4 429 1.0315
angle_coeff @angle:o-c-oh harmonic 77.38 122.88 # SOURCE3 33 2.1896
angle_coeff @angle:o-c-os harmonic 75.93 123.33 # SOURCE4 1708 1.0632
angle_coeff @angle:o-c-p2 harmonic 75.65 123.10 # SOURCE3 1
angle_coeff @angle:o-c-p3 harmonic 77.08 120.79 # SOURCE3 1
angle_coeff @angle:o-c-p5 harmonic 77.01 121.20 # SOURCE4 8 1.2117
angle_coeff @angle:o-c-pe harmonic 75.23 123.02 # SOURCE3 3 0.1404
angle_coeff @angle:o-c-pf harmonic 75.23 123.02 # SOURCE3 3 same_as_o-c-pe
angle_coeff @angle:o-c-px harmonic 76.75 119.10 # SOURCE3 1 0.0000
angle_coeff @angle:o-c-py harmonic 77.45 121.71 # SOURCE4 5 0.3133
angle_coeff @angle:o-c-s4 harmonic 61.24 121.15 # SOURCE3 1
angle_coeff @angle:o-c-s6 harmonic 61.67 119.45 # SOURCE3 1
angle_coeff @angle:o-c-s harmonic 68.21 120.44 # SOURCE3 2 0.0000
angle_coeff @angle:o-c-sh harmonic 64.19 121.41 # SOURCE3 4 1.4052
angle_coeff @angle:os-c-os harmonic 76.45 111.38 # SOURCE4 12 0.8309
angle_coeff @angle:o-c-ss harmonic 64.62 122.29 # SOURCE3 7 1.9240
angle_coeff @angle:os-c-s harmonic 65.82 125.03 # SOURCE4 18 0.9978
angle_coeff @angle:os-c-ss harmonic 66.30 113.63 # SOURCE4 5 0.7367
angle_coeff @angle:o-c-sx harmonic 60.75 121.15 # SOURCE3 5 3.6452
angle_coeff @angle:o-c-sy harmonic 61.88 119.32 # SOURCE3 5 2.4495
angle_coeff @angle:p2-c-p2 harmonic 94.44 113.75 # SOURCE3 1
angle_coeff @angle:p3-c-p3 harmonic 93.55 118.04 # SOURCE3 1 0.0000
angle_coeff @angle:p3-c-py harmonic 107.54 90.08 # SOURCE3 1 0.0000
angle_coeff @angle:p5-c-p5 harmonic 91.43 123.76 # SOURCE3 1
angle_coeff @angle:ca-cp-ca harmonic 67.11 118.33 # CORR 526
angle_coeff @angle:ca-cp-cp harmonic 64.09 121.13 # CORR 991
angle_coeff @angle:ca-cp-na harmonic 68.78 119.43 # SOURCE4 21 0.6591
angle_coeff @angle:ca-cp-nb harmonic 69.19 121.65 # SOURCE4 63 0.6564
angle_coeff @angle:cp-cp-cp harmonic 72.20 90.00 # SOURCE3 4 0.0000
angle_coeff @angle:cp-cp-cq harmonic 62.64 124.47 # CORR 10
angle_coeff @angle:cp-cp-nb harmonic 68.05 116.60 # SOURCE4 88 1.1887
angle_coeff @angle:pe-c-pe harmonic 93.89 113.77 # SOURCE3 1 0.0000
angle_coeff @angle:pf-c-pf harmonic 93.89 113.77 # SOURCE3 1 same_as_pe-c-pe
angle_coeff @angle:nb-cp-nb harmonic 71.31 125.72 # SOURCE4 5 0.6674
angle_coeff @angle:py-c-py harmonic 92.13 123.80 # SOURCE3 1 0.0000
angle_coeff @angle:ca-cq-ca harmonic 67.11 118.33 # CORR 526
angle_coeff @angle:ca-cq-cq harmonic 64.09 121.13 # CORR 991
angle_coeff @angle:ca-cq-nb harmonic 69.19 121.65 # SOURCE4 63 same as ca-cp-nb
angle_coeff @angle:cp-cq-cq harmonic 62.64 124.47 # CORR 10
angle_coeff @angle:cq-cq-cq harmonic 72.20 90.00 # SOURCE3 4 0.0000
angle_coeff @angle:cq-cq-nb harmonic 68.05 116.60 # SOURCE4 88 same as cp-cp-nb
angle_coeff @angle:s4-c-s4 harmonic 61.25 108.81 # SOURCE3 1
angle_coeff @angle:s6-c-s6 harmonic 59.39 115.75 # SOURCE3 1
angle_coeff @angle:sh-c-sh harmonic 62.47 115.33 # SOURCE3 1 0.0000
angle_coeff @angle:s-c-s harmonic 65.01 120.40 # SOURCE3 2 1.2766
angle_coeff @angle:s-c-sh harmonic 62.29 122.76 # SOURCE4 11 1.5734
angle_coeff @angle:s-c-ss harmonic 61.88 125.90 # SOURCE3 1 0.0000
angle_coeff @angle:ss-c-ss harmonic 63.79 113.00 # SOURCE3 1 0.0000
angle_coeff @angle:sx-c-sx harmonic 60.77 108.80 # SOURCE3 1 0.0000
angle_coeff @angle:sy-c-sy harmonic 59.54 115.78 # SOURCE3 1 0.0000
angle_coeff @angle:c2-cu-cx harmonic 58.56 148.21 # SOURCE4 6 1.8305
angle_coeff @angle:c-cu-cu harmonic 94.97 62.60 # SOURCE2 1 0.0000
angle_coeff @angle:cu-cu-cx harmonic 100.97 50.80 # SOURCE2 1 0.0000
angle_coeff @angle:cu-cu-ha harmonic 46.11 147.73 # SOURCE2 3 2.0950
angle_coeff @angle:cv-cv-cy harmonic 73.28 94.17 # SOURCE3 2 0.0000
angle_coeff @angle:cv-cv-ha harmonic 47.30 133.70 # SOURCE3 2 0.0000
angle_coeff @angle:cx-cv-cx harmonic 84.66 63.90 # SOURCE2 1 0.0000
angle_coeff @angle:cy-cv-ha harmonic 42.89 132.14 # SOURCE3 2 0.0000
angle_coeff @angle:c1-cx-cx harmonic 63.10 120.66 # SOURCE4 9 0.9067
angle_coeff @angle:c2-cx-cx harmonic 62.33 120.54 # SOURCE4 51 2.2377
angle_coeff @angle:c2-cx-h1 harmonic 46.63 115.78 # SOURCE4 8 0.2332
angle_coeff @angle:c2-cx-hc harmonic 46.77 115.10 # SOURCE4 12 0.7463
angle_coeff @angle:c2-cx-os harmonic 67.14 116.17 # SOURCE4 14 1.2782
angle_coeff @angle:c3-cx-c3 harmonic 63.00 114.48 # SOURCE4 46 1.9627
angle_coeff @angle:c3-cx-cx harmonic 61.82 120.06 # SOURCE4 448 2.1467
angle_coeff @angle:c3-cx-h1 harmonic 45.87 115.42 # SOURCE4 89 1.1096
angle_coeff @angle:c3-cx-hc harmonic 46.12 114.16 # SOURCE4 85 1.1118
angle_coeff @angle:c3-cx-n3 harmonic 64.31 118.50 # SOURCE4 17 2.4897
angle_coeff @angle:c3-cx-os harmonic 66.57 115.50 # SOURCE4 161 1.3016
angle_coeff @angle:ca-cx-cx harmonic 61.86 122.18 # SOURCE4 65 1.6898
angle_coeff @angle:ca-cx-h1 harmonic 46.81 114.57 # SOURCE4 7 0.6498
angle_coeff @angle:ca-cx-hc harmonic 47.05 113.41 # SOURCE4 18 0.7843
angle_coeff @angle:ca-cx-oh harmonic 69.25 112.93 # SOURCE3 1 0.0000
angle_coeff @angle:ca-cx-os harmonic 66.42 118.50 # SOURCE4 6 0.7514
angle_coeff @angle:c-cx-c3 harmonic 62.91 116.93 # SOURCE4 18 1.8253
angle_coeff @angle:cc-cx-cx harmonic 62.90 119.31 # CORR 39
angle_coeff @angle:cc-cx-hc harmonic 47.37 113.84 # SOURCE4 15 0.6682
angle_coeff @angle:c-cx-cx harmonic 62.96 117.96 # SOURCE4 147 1.8483
angle_coeff @angle:cd-cx-cx harmonic 62.90 119.31 # CORR 39
angle_coeff @angle:c-cx-h1 harmonic 46.27 117.25 # SOURCE4 24 0.7935
angle_coeff @angle:c-cx-hc harmonic 46.42 116.53 # SOURCE4 36 1.2830
angle_coeff @angle:cl-cx-cl harmonic 54.42 114.20 # SOURCE2 1 0.0000
angle_coeff @angle:cl-cx-cx harmonic 56.53 120.10 # SOURCE4 15 0.5917
angle_coeff @angle:cl-cx-h1 harmonic 40.37 111.43 # SOURCE3 1 0.0000
angle_coeff @angle:cl-cx-hc harmonic 39.60 115.80 # SOURCE2 1 0.0000
angle_coeff @angle:c-cx-os harmonic 67.25 115.59 # SOURCE4 36 0.8227
angle_coeff @angle:cu-cx-cu harmonic 91.53 54.60 # SOURCE2 1 0.0000
angle_coeff @angle:cu-cx-cx harmonic 88.72 58.50 # SOURCE4 7 0.1333
angle_coeff @angle:cu-cx-hc harmonic 45.49 118.09 # SOURCE4 7 1.0126
angle_coeff @angle:cx-cx-cx harmonic 87.90 60.00 # SOURCE4 681 0.6259
angle_coeff @angle:cx-cx-cy harmonic 67.54 100.53 # SOURCE3 4 0.0000
angle_coeff @angle:cx-cx-f harmonic 64.53 117.93 # SOURCE4 7 1.1613
angle_coeff @angle:cx-cx-h1 harmonic 45.45 119.66 # SOURCE3 12 0.4529
angle_coeff @angle:cx-cx-hc harmonic 45.79 117.92 # SOURCE3 92 1.1927
angle_coeff @angle:cx-cx-hx harmonic 45.47 119.62 # SOURCE4 9 0.1118
angle_coeff @angle:cx-cx-n3 harmonic 91.17 59.59 # SOURCE4 154 0.3104
angle_coeff @angle:cx-cx-na harmonic 62.94 125.85 # SOURCE4 16 2.0385
angle_coeff @angle:cx-cx-nh harmonic 92.03 59.15 # SOURCE4 116 0.6758
angle_coeff @angle:cx-cx-os harmonic 93.61 59.07 # SOURCE4 306 0.5253
angle_coeff @angle:cy-cx-hc harmonic 43.98 125.43 # SOURCE3 2 0.0000
angle_coeff @angle:f-cx-f harmonic 70.61 106.90 # SOURCE2 2 1.4000
angle_coeff @angle:f-cx-h1 harmonic 50.35 111.68 # SOURCE3 1 0.0000
angle_coeff @angle:f-cx-hc harmonic 50.22 112.30 # SOURCE2 1 0.0000
angle_coeff @angle:h1-cx-h1 harmonic 38.38 115.45 # SOURCE4 230 0.3302
angle_coeff @angle:h1-cx-n3 harmonic 47.97 116.43 # SOURCE4 173 1.4531
angle_coeff @angle:h1-cx-n harmonic 49.06 115.42 # SOURCE4 12 1.0443
angle_coeff @angle:h1-cx-na harmonic 49.96 108.67 # SOURCE4 8 1.6134
angle_coeff @angle:h1-cx-nh harmonic 48.50 116.32 # SOURCE4 151 1.0310
angle_coeff @angle:h1-cx-os harmonic 50.01 115.17 # SOURCE3 8 0.0226
angle_coeff @angle:h2-cx-h2 harmonic 37.87 119.43 # SOURCE3 1 0.0000
angle_coeff @angle:h2-cx-n2 harmonic 47.55 117.18 # SOURCE3 4 0.0000
angle_coeff @angle:hc-cx-hc harmonic 38.58 114.47 # SOURCE3 19 0.3295
angle_coeff @angle:hc-cx-os harmonic 50.25 114.10 # SOURCE2 1 0.0000
angle_coeff @angle:hx-cx-n4 harmonic 49.89 114.47 # SOURCE4 8 0.1059
angle_coeff @angle:n2-cx-n2 harmonic 102.06 50.16 # SOURCE3 1 0.0000
angle_coeff @angle:n-cx-oh harmonic 70.16 119.75 # SOURCE3 2 0.0000
angle_coeff @angle:n-cx-os harmonic 92.71 65.98 # SOURCE3 1 0.0000
angle_coeff @angle:oh-cx-oh harmonic 76.67 107.85 # SOURCE3 1 0.0000
angle_coeff @angle:oh-cx-os harmonic 71.64 118.12 # SOURCE3 4 1.3581
angle_coeff @angle:os-cx-os harmonic 70.90 115.84 # SOURCE4 7 2.0760
angle_coeff @angle:c2-cy-cy harmonic 66.57 100.40 # SOURCE2 1 0.0000
angle_coeff @angle:c3-cy-c3 harmonic 63.19 111.58 # SOURCE4 15 1.0060
angle_coeff @angle:c3-cy-cy harmonic 60.76 118.70 # SOURCE4 293 1.8510
angle_coeff @angle:c3-cy-h1 harmonic 46.16 111.77 # SOURCE4 119 0.4412
angle_coeff @angle:c3-cy-hc harmonic 46.21 111.55 # SOURCE3 5 0.6276
angle_coeff @angle:c3-cy-n3 harmonic 65.28 112.92 # SOURCE3 2 0.0000
angle_coeff @angle:c3-cy-n harmonic 68.32 104.05 # SOURCE4 122 0.5745
angle_coeff @angle:c3-cy-os harmonic 66.99 111.96 # SOURCE4 11 1.0668
angle_coeff @angle:c-cy-c3 harmonic 61.78 116.72 # SOURCE4 129 0.5236
angle_coeff @angle:cc-cy-cy harmonic 60.58 121.17 # CORR 19
angle_coeff @angle:c-cy-cy harmonic 71.81 84.99 # SOURCE4 263 0.6952
angle_coeff @angle:cd-cy-cy harmonic 60.58 121.17 # CORR 19
angle_coeff @angle:ce-cy-h2 harmonic 45.50 117.25 # SOURCE4 17 0.5351
angle_coeff @angle:ce-cy-n harmonic 74.69 88.02 # SOURCE4 14 0.1416
angle_coeff @angle:ce-cy-ss harmonic 58.47 121.33 # SOURCE4 13 0.1599
angle_coeff @angle:c-cy-h1 harmonic 45.89 113.10 # SOURCE4 71 0.7655
angle_coeff @angle:c-cy-hc harmonic 45.75 113.85 # SOURCE3 8 0.2067
angle_coeff @angle:cl-cy-cy harmonic 57.58 112.00 # SOURCE3 2 0.0000
angle_coeff @angle:cl-cy-h1 harmonic 40.98 106.59 # SOURCE3 1 0.0000
angle_coeff @angle:cl-cy-hc harmonic 39.62 114.00 # SOURCE2 1 0.0000
angle_coeff @angle:c-cy-n harmonic 64.32 117.39 # SOURCE4 70 1.0742
angle_coeff @angle:c-cy-os harmonic 66.27 114.42 # SOURCE4 6 1.2052
angle_coeff @angle:cv-cy-cy harmonic 71.46 86.67 # SOURCE4 6 1.1600
angle_coeff @angle:cv-cy-hc harmonic 46.06 114.47 # SOURCE4 7 0.4307
angle_coeff @angle:cx-cy-cy harmonic 66.08 101.23 # SOURCE3 4 0.0000
angle_coeff @angle:cx-cy-hc harmonic 45.25 118.30 # SOURCE2 3 5.7799
angle_coeff @angle:cy-cy-cy harmonic 70.16 87.61 # SOURCE3 32 1.5407
angle_coeff @angle:cy-cy-f harmonic 64.55 112.87 # SOURCE4 13 1.6772
angle_coeff @angle:cy-cy-h1 harmonic 44.87 114.84 # SOURCE3 20 2.5651
angle_coeff @angle:cy-cy-h2 harmonic 44.51 116.77 # SOURCE4 83 0.8683
angle_coeff @angle:cy-cy-hc harmonic 44.82 115.14 # SOURCE3 114 0.8364
angle_coeff @angle:cy-cy-n3 harmonic 73.47 87.58 # SOURCE3 4 0.6135
angle_coeff @angle:cy-cy-n harmonic 65.22 112.13 # SOURCE3 31 2.0700
angle_coeff @angle:cy-cy-na harmonic 63.12 119.70 # SOURCE4 9 0.3333
angle_coeff @angle:cy-cy-oh harmonic 66.00 114.19 # SOURCE3 4 0.0000
angle_coeff @angle:cy-cy-os harmonic 66.41 111.77 # SOURCE4 18 2.1334
angle_coeff @angle:cy-cy-s6 harmonic 58.93 117.46 # SOURCE4 7 1.2423
angle_coeff @angle:cy-cy-ss harmonic 58.83 118.18 # SOURCE4 55 0.9860
angle_coeff @angle:h1-cy-h1 harmonic 39.01 109.72 # SOURCE3 6 0.8087
angle_coeff @angle:h1-cy-n3 harmonic 48.21 113.36 # SOURCE3 6 1.4509
angle_coeff @angle:h1-cy-n harmonic 49.10 111.18 # SOURCE4 141 0.5848
angle_coeff @angle:h1-cy-oh harmonic 50.89 111.49 # SOURCE3 2 0.0000
angle_coeff @angle:h1-cy-os harmonic 50.53 110.94 # SOURCE3 8 0.6522
angle_coeff @angle:h1-cy-s6 harmonic 41.05 112.57 # SOURCE4 5 1.2943
angle_coeff @angle:h2-cy-n harmonic 48.42 114.44 # SOURCE4 88 0.7114
angle_coeff @angle:h2-cy-os harmonic 50.97 109.19 # SOURCE4 6 0.4162
angle_coeff @angle:h2-cy-s6 harmonic 42.11 106.85 # SOURCE4 6 0.3975
angle_coeff @angle:h2-cy-ss harmonic 41.64 109.73 # SOURCE4 92 0.7424
angle_coeff @angle:hc-cy-hc harmonic 39.24 109.04 # SOURCE3 28 0.5962
angle_coeff @angle:n-cy-os harmonic 71.62 107.50 # SOURCE4 9 2.3773
angle_coeff @angle:n-cy-s6 harmonic 65.24 103.45 # SOURCE4 6 0.7197
angle_coeff @angle:n-cy-ss harmonic 64.81 105.12 # SOURCE4 69 0.3987
angle_coeff @angle:nh-cz-nh harmonic 72.97 120.17 # SOURCE4 26 0.3964
angle_coeff @angle:br-n1-c1 harmonic 51.10 180.00 # HF/6-31G* 1
angle_coeff @angle:c1-n1-c1 harmonic 64.91 179.92 # HF/6-31G* 1
angle_coeff @angle:c1-n1-c2 harmonic 60.25 177.73 # HF/6-31G* 1
angle_coeff @angle:c1-n1-c3 harmonic 54.83 180.00 # HF/6-31G* 1
angle_coeff @angle:c1-n1-ca harmonic 56.97 179.99 # HF/6-31G* 1
angle_coeff @angle:c1-n1-cl harmonic 50.10 179.95 # HF/6-31G* 1
angle_coeff @angle:c1-n1-f harmonic 55.86 179.96 # HF/6-31G* 1
angle_coeff @angle:c1-n1-hn harmonic 45.62 179.98 # HF/6-31G* 1
angle_coeff @angle:c1-n1-i harmonic 46.23 179.95 # HF/6-31G* 1
angle_coeff @angle:c1-n1-n1 harmonic 66.89 180.00 # HF/6-31G* 1
angle_coeff @angle:c1-n1-n2 harmonic 65.70 171.56 # HF/6-31G* 1
angle_coeff @angle:c1-n1-n3 harmonic 60.69 175.59 # HF/6-31G* 1
angle_coeff @angle:c1-n1-n4 harmonic 59.68 179.69 # HF/6-31G* 1
angle_coeff @angle:c1-n1-na harmonic 59.95 180.00 # HF/6-31G* 1
angle_coeff @angle:c1-n1-nh harmonic 60.88 176.35 # HF/6-31G* 1
angle_coeff @angle:c1-n1-o harmonic 62.62 179.95 # HF/6-31G* 1
angle_coeff @angle:c1-n1-oh harmonic 62.88 174.31 # HF/6-31G* 1
angle_coeff @angle:c1-n1-os harmonic 62.15 176.61 # HF/6-31G* 1
angle_coeff @angle:c1-n1-p2 harmonic 68.11 172.83 # HF/6-31G* 1
angle_coeff @angle:c1-n1-p3 harmonic 68.68 173.51 # HF/6-31G* 1
angle_coeff @angle:c1-n1-p4 harmonic 67.87 173.64 # HF/6-31G* 1
angle_coeff @angle:c1-n1-p5 harmonic 71.49 177.28 # HF/6-31G* 1
angle_coeff @angle:c1-n1-s2 harmonic 60.33 178.11 # HF/6-31G* 1
angle_coeff @angle:c1-n1-s4 harmonic 55.20 169.60 # HF/6-31G* 1
angle_coeff @angle:c1-n1-s harmonic 53.31 179.99 # HF/6-31G* 1
angle_coeff @angle:c1-n1-s6 harmonic 61.81 175.92 # HF/6-31G* 1
angle_coeff @angle:c1-n1-sh harmonic 55.72 174.25 # HF/6-31G* 1
angle_coeff @angle:c1-n1-ss harmonic 55.44 176.06 # HF/6-31G* 1
angle_coeff @angle:c2-n1-n1 harmonic 61.58 180.00 # HF/6-31G* 1
angle_coeff @angle:c2-n1-o harmonic 73.09 116.94 # SOURCE3 2 0.0060
angle_coeff @angle:c2-n1-s harmonic 64.71 118.00 # SOURCE3 2 0.0121
angle_coeff @angle:c3-n1-n1 harmonic 56.30 180.00 # HF/6-31G* 1
angle_coeff @angle:ca-n1-n1 harmonic 58.54 180.00 # HF/6-31G* 1
angle_coeff @angle:ce-n1-o harmonic 71.28 122.40 # CORR 2
angle_coeff @angle:ce-n1-s harmonic 64.84 117.34 # CORR 2
angle_coeff @angle:cf-n1-o harmonic 71.28 122.40 # CORR 2
angle_coeff @angle:cf-n1-s harmonic 64.84 117.34 # CORR 2
angle_coeff @angle:cl-n1-n1 harmonic 51.37 179.94 # HF/6-31G* 1
angle_coeff @angle:f-n1-n1 harmonic 57.39 179.93 # HF/6-31G* 1
angle_coeff @angle:hn-n1-n1 harmonic 47.14 179.91 # HF/6-31G* 1
angle_coeff @angle:i-n1-n1 harmonic 47.26 179.94 # HF/6-31G* 1
angle_coeff @angle:n1-n1-n1 harmonic 68.97 179.97 # HF/6-31G* 1
angle_coeff @angle:n1-n1-n2 harmonic 67.65 171.57 # HF/6-31G* 1
angle_coeff @angle:n1-n1-n3 harmonic 62.49 175.09 # HF/6-31G* 1
angle_coeff @angle:n1-n1-n4 harmonic 61.31 179.91 # HF/6-31G* 1
angle_coeff @angle:n1-n1-na harmonic 61.63 179.97 # HF/6-31G* 1
angle_coeff @angle:n1-n1-nh harmonic 62.66 176.00 # HF/6-31G* 1
angle_coeff @angle:n1-n1-o harmonic 64.43 179.94 # HF/6-31G* 1
angle_coeff @angle:n1-n1-oh harmonic 64.78 173.77 # HF/6-31G* 1
angle_coeff @angle:n1-n1-os harmonic 64.01 176.12 # HF/6-31G* 1
angle_coeff @angle:n1-n1-p2 harmonic 69.42 174.71 # HF/6-31G* 1
angle_coeff @angle:n1-n1-p3 harmonic 70.24 174.27 # HF/6-31G* 1
angle_coeff @angle:n1-n1-s harmonic 54.64 180.00 # SOURCE3 1 0.0000
angle_coeff @angle:n1-n1-sh harmonic 57.01 175.07 # HF/6-31G* 1
angle_coeff @angle:n1-n1-ss harmonic 56.92 175.61 # HF/6-31G* 1
angle_coeff @angle:o-n1-p2 harmonic 84.67 116.05 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n1-s harmonic 80.34 119.93 # SOURCE3 1 0.0000
angle_coeff @angle:br-n2-br harmonic 63.89 106.60 # SOURCE3 1
angle_coeff @angle:br-n2-c2 harmonic 59.13 112.40 # SOURCE3 1 0.0000
angle_coeff @angle:br-n2-n2 harmonic 61.08 110.42 # SOURCE3 1 0.0000
angle_coeff @angle:br-n2-o harmonic 60.10 114.47 # SOURCE3 1 0.0000
angle_coeff @angle:br-n2-p2 harmonic 80.05 111.03 # SOURCE3 1 0.0000
angle_coeff @angle:br-n2-s harmonic 62.40 115.78 # SOURCE3 1 0.0000
angle_coeff @angle:c1-n2-c1 harmonic 74.41 121.10 # SOURCE3 1
angle_coeff @angle:c1-n2-c3 harmonic 58.67 151.88 # SOURCE3 4 15.8282
angle_coeff @angle:c1-n2-cl harmonic 55.36 118.80 # SOURCE2 1 0.0000
angle_coeff @angle:c1-n2-hn harmonic 51.47 126.50 # SOURCE2 3 7.6267
angle_coeff @angle:c1-n2-n2 harmonic 76.75 113.40 # SOURCE3 1
angle_coeff @angle:c1-n2-o harmonic 79.20 113.59 # SOURCE3 1
angle_coeff @angle:c1-n2-p2 harmonic 84.76 119.57 # SOURCE3 1
angle_coeff @angle:c1-n2-s harmonic 69.80 117.67 # SOURCE3 1
angle_coeff @angle:c2-n2-c2 harmonic 70.76 118.18 # SOURCE3 1
angle_coeff @angle:c2-n2-c3 harmonic 66.13 115.30 # SOURCE3 8 4.2940
angle_coeff @angle:c2-n2-ca harmonic 69.83 119.94 # SOURCE3 1
angle_coeff @angle:c2-n2-cl harmonic 56.69 112.64 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n2-f harmonic 68.30 108.14 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n2-hn harmonic 52.63 110.33 # SOURCE3 9 0.6498
angle_coeff @angle:c2-n2-i harmonic 51.86 114.74 # SOURCE3 2 0.0139
angle_coeff @angle:c2-n2-n1 harmonic 75.45 115.09 # HF/6-31G* 1
angle_coeff @angle:c2-n2-n2 harmonic 77.94 103.59 # SOURCE3 2 0.0000
angle_coeff @angle:c2-n2-n3 harmonic 71.34 118.14 # SOURCE3 1
angle_coeff @angle:c2-n2-n4 harmonic 62.39 112.22 # SOURCE3 3 0.0406
angle_coeff @angle:c2-n2-n harmonic 70.16 117.98 # SOURCE4 11 0.9019
angle_coeff @angle:c2-n2-na harmonic 70.35 117.58 # SOURCE3 8 1.6671
angle_coeff @angle:c2-n2-nh harmonic 70.71 117.61 # SOURCE3 6 3.2642
angle_coeff @angle:c2-n2-no harmonic 64.22 111.54 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n2-o harmonic 75.47 116.94 # SOURCE3 1
angle_coeff @angle:c2-n2-oh harmonic 72.08 110.89 # SOURCE4 22 1.2709
angle_coeff @angle:c2-n2-os harmonic 71.83 110.51 # SOURCE4 13 0.7888
angle_coeff @angle:c2-n2-p2 harmonic 85.03 116.00 # SOURCE3 1
angle_coeff @angle:c2-n2-p3 harmonic 77.54 119.30 # SOURCE3 3 2.8489
angle_coeff @angle:c2-n2-p4 harmonic 79.28 118.77 # SOURCE3 1
angle_coeff @angle:c2-n2-s4 harmonic 68.12 112.29 # SOURCE3 1
angle_coeff @angle:c2-n2-s6 harmonic 68.85 116.24 # SOURCE3 1
angle_coeff @angle:c2-n2-s harmonic 68.67 118.00 # SOURCE3 1
angle_coeff @angle:c2-n2-sh harmonic 63.09 115.48 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n2-ss harmonic 64.97 118.04 # SOURCE3 4 2.2804
angle_coeff @angle:c3-n2-c3 harmonic 63.76 110.70 # SOURCE3 1
angle_coeff @angle:c3-n2-ca harmonic 65.97 114.95 # SOURCE4 5 0.9744
angle_coeff @angle:c3-n2-ce harmonic 65.37 118.53 # CORR 123
angle_coeff @angle:c3-n2-cf harmonic 65.37 118.53 # CORR 123
angle_coeff @angle:c3-n2-hn harmonic 45.18 118.40 # SOURCE3 1
angle_coeff @angle:c3-n2-n1 harmonic 68.64 116.20 # SOURCE4 12 0.5407
angle_coeff @angle:c3-n2-n2 harmonic 69.29 111.18 # SOURCE3 7 0.4349
angle_coeff @angle:c3-n2-nh harmonic 68.08 109.99 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n2-o harmonic 70.29 112.40 # SOURCE2 1 0.0000
angle_coeff @angle:c3-n2-p2 harmonic 82.11 114.21 # SOURCE3 2 2.2772
angle_coeff @angle:c3-n2-s6 harmonic 66.28 113.84 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n2-s harmonic 65.70 116.72 # SOURCE3 1 0.0000
angle_coeff @angle:ca-n2-ca harmonic 71.79 112.20 # SOURCE3 1
angle_coeff @angle:ca-n2-hn harmonic 50.01 120.00 # SOURCE3 1
angle_coeff @angle:ca-n2-n2 harmonic 74.00 113.53 # SOURCE3 1
angle_coeff @angle:ca-n2-o harmonic 75.26 116.00 # SOURCE2 1 0.0000
angle_coeff @angle:ca-n2-p2 harmonic 84.03 118.11 # SOURCE3 1
angle_coeff @angle:ca-n2-s harmonic 67.84 120.11 # SOURCE3 1
angle_coeff @angle:c-n2-c2 harmonic 66.22 120.97 # SOURCE3 1
angle_coeff @angle:c-n2-c harmonic 62.71 123.80 # SOURCE3 1
angle_coeff @angle:c-n2-ca harmonic 66.05 120.50 # SOURCE3 1
angle_coeff @angle:cc-n2-cl harmonic 55.90 115.79 # CORR 2
angle_coeff @angle:cc-n2-hn harmonic 52.42 110.72 # CORR 20
angle_coeff @angle:cc-n2-na harmonic 73.01 108.92 # SOURCE4 9 1.6245
angle_coeff @angle:cc-n2-nh harmonic 70.37 118.47 # SOURCE4 6 1.7995
angle_coeff @angle:cd-n2-cl harmonic 55.90 115.79 # CORR 2
angle_coeff @angle:cd-n2-hn harmonic 52.42 110.72 # CORR 20
angle_coeff @angle:ce-n2-hn harmonic 52.74 111.05 # CORR 69
angle_coeff @angle:ce-n2-n harmonic 70.35 118.04 # CORR 101
angle_coeff @angle:ce-n2-nh harmonic 70.64 118.57 # CORR 54
angle_coeff @angle:ce-n2-o harmonic 77.37 112.16 # SOURCE3 1
angle_coeff @angle:ce-n2-oh harmonic 71.48 113.38 # CORR 37
angle_coeff @angle:ce-n2-os harmonic 71.23 112.97 # CORR 40
angle_coeff @angle:ce-n2-s harmonic 69.30 116.28 # SOURCE3 1
angle_coeff @angle:cf-n2-hn harmonic 52.74 111.05 # CORR 69
angle_coeff @angle:cf-n2-n harmonic 70.35 118.04 # CORR 101
angle_coeff @angle:cf-n2-nh harmonic 70.64 118.57 # CORR 54
angle_coeff @angle:cf-n2-o harmonic 77.37 112.16 # SOURCE3 1 same_as_ce-n2-o
angle_coeff @angle:cf-n2-oh harmonic 71.48 113.38 # CORR 37
angle_coeff @angle:cf-n2-os harmonic 71.23 112.97 # CORR 40
angle_coeff @angle:cf-n2-s harmonic 69.30 116.28 # SOURCE3 1 same_as_ce-n2-s
angle_coeff @angle:cl-n2-n1 harmonic 59.29 108.70 # SOURCE2 1 0.0000
angle_coeff @angle:cl-n2-n2 harmonic 58.70 110.47 # SOURCE3 1 0.0000
angle_coeff @angle:cl-n2-o harmonic 58.23 114.03 # SOURCE3 1
angle_coeff @angle:cl-n2-p2 harmonic 73.98 112.98 # SOURCE3 1 0.0000
angle_coeff @angle:cl-n2-s harmonic 58.50 115.77 # SOURCE3 1 0.0000
angle_coeff @angle:cx-n2-n2 harmonic 90.46 64.92 # SOURCE3 2 0.0000
angle_coeff @angle:f-n2-n2 harmonic 68.29 114.60 # SOURCE2 1 0.0000
angle_coeff @angle:f-n2-o harmonic 71.17 110.10 # SOURCE2 1 0.0000
angle_coeff @angle:f-n2-p2 harmonic 84.30 107.10 # SOURCE3 1 0.0000
angle_coeff @angle:f-n2-s harmonic 67.14 110.73 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n2-hn harmonic 38.61 120.00 # SOURCE3 1
angle_coeff @angle:hn-n2-n1 harmonic 55.33 114.10 # SOURCE2 1 0.0000
angle_coeff @angle:hn-n2-n2 harmonic 55.84 105.01 # SOURCE3 19 1.5183
angle_coeff @angle:hn-n2-ne harmonic 54.69 108.56 # SOURCE3 29 5.5708
angle_coeff @angle:hn-n2-nf harmonic 54.69 108.56 # SOURCE3 29 same_as_hn-n2-ne
angle_coeff @angle:hn-n2-o harmonic 57.61 107.37 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n2-p2 harmonic 58.61 112.09 # SOURCE3 18 4.0663
angle_coeff @angle:hn-n2-p4 harmonic 54.50 111.33 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n2-p5 harmonic 56.32 122.34 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n2-pe harmonic 61.28 111.41 # SOURCE3 20 4.9895
angle_coeff @angle:hn-n2-pf harmonic 61.28 111.41 # SOURCE3 20 same_as_hn-n2-pe
angle_coeff @angle:hn-n2-s2 harmonic 48.34 115.80 # SOURCE2 1 0.0000
angle_coeff @angle:hn-n2-s4 harmonic 46.34 111.21 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n2-s harmonic 49.11 108.17 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n2-s6 harmonic 47.82 112.59 # SOURCE3 2 0.0000
angle_coeff @angle:i-n2-n2 harmonic 53.71 111.79 # SOURCE3 1 0.0000
angle_coeff @angle:i-n2-o harmonic 52.33 116.82 # SOURCE3 1 0.0000
angle_coeff @angle:i-n2-p2 harmonic 72.31 113.26 # SOURCE3 1 0.0000
angle_coeff @angle:i-n2-s harmonic 56.35 116.85 # SOURCE3 1 0.0000
angle_coeff @angle:n1-n2-n1 harmonic 80.82 112.00 # HF/6-31G* 1
angle_coeff @angle:n2-n2-n1 harmonic 62.28 180.00 # dac_for_azides 0
angle_coeff @angle:n2-n2-n2 harmonic 78.20 109.49 # SOURCE3 2 0.0000
angle_coeff @angle:n2-n2-n3 harmonic 76.59 108.88 # SOURCE3 1
angle_coeff @angle:n2-n2-n4 harmonic 65.78 106.45 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n2-na harmonic 74.18 112.23 # SOURCE3 1
angle_coeff @angle:n2-n2-nh harmonic 74.76 111.70 # SOURCE3 5 0.3475
angle_coeff @angle:n2-n2-no harmonic 67.68 105.97 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n2-o harmonic 80.17 110.43 # SOURCE3 1
angle_coeff @angle:n2-n2-oh harmonic 74.02 111.51 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n2-os harmonic 74.69 108.38 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n2-p2 harmonic 90.07 109.15 # SOURCE3 1
angle_coeff @angle:n2-n2-p3 harmonic 81.73 113.05 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n2-p4 harmonic 81.37 118.77 # SOURCE3 1
angle_coeff @angle:n2-n2-p5 harmonic 89.80 110.46 # SOURCE3 1
angle_coeff @angle:n2-n2-s4 harmonic 71.60 107.30 # SOURCE3 1
angle_coeff @angle:n2-n2-s6 harmonic 72.35 111.25 # SOURCE3 1
angle_coeff @angle:n2-n2-s harmonic 71.24 115.91 # SOURCE3 1
angle_coeff @angle:n2-n2-sh harmonic 66.00 111.10 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n2-ss harmonic 68.46 112.14 # SOURCE3 1 0.0000
angle_coeff @angle:n3-n2-n3 harmonic 72.95 115.07 # SOURCE3 1
angle_coeff @angle:n3-n2-o harmonic 76.86 114.00 # SOURCE2 1 0.0000
angle_coeff @angle:n3-n2-p2 harmonic 86.69 115.34 # SOURCE3 1
angle_coeff @angle:n3-n2-s harmonic 69.96 117.13 # SOURCE3 1
angle_coeff @angle:n4-n2-n4 harmonic 59.97 106.70 # SOURCE3 1
angle_coeff @angle:n4-n2-o harmonic 64.86 112.20 # SOURCE3 1 0.0000
angle_coeff @angle:n4-n2-p2 harmonic 79.54 113.07 # SOURCE3 1 0.0000
angle_coeff @angle:n4-n2-s harmonic 62.44 118.50 # SOURCE3 1 0.0000
angle_coeff @angle:na-n2-na harmonic 73.47 107.00 # SOURCE3 1
angle_coeff @angle:na-n2-o harmonic 75.74 113.09 # SOURCE3 1 0.0000
angle_coeff @angle:na-n2-p2 harmonic 84.58 119.16 # SOURCE3 1 0.0000
angle_coeff @angle:na-n2-s harmonic 68.94 118.26 # SOURCE3 1 0.0000
angle_coeff @angle:ne-n2-nh harmonic 74.13 113.09 # CORR 12
angle_coeff @angle:ne-n2-o harmonic 79.97 110.31 # SOURCE3 1
angle_coeff @angle:ne-n2-s harmonic 71.04 116.22 # SOURCE3 1
angle_coeff @angle:nf-n2-nh harmonic 74.13 113.09 # CORR 12
angle_coeff @angle:nf-n2-o harmonic 79.97 110.31 # SOURCE3 1 same_as_ne-n2-o
angle_coeff @angle:nf-n2-s harmonic 71.04 116.22 # SOURCE3 1 same_as_ne-n2-s
angle_coeff @angle:nh-n2-nh harmonic 69.67 121.20 # SOURCE3 1
angle_coeff @angle:nh-n2-o harmonic 76.02 113.60 # SOURCE4 13 1.0945
angle_coeff @angle:nh-n2-p2 harmonic 84.93 118.83 # SOURCE3 2 0.1024
angle_coeff @angle:nh-n2-s harmonic 69.56 116.90 # SOURCE3 2 0.2276
angle_coeff @angle:n-n2-n2 harmonic 75.48 108.18 # SOURCE4 8 0.3496
angle_coeff @angle:n-n2-o harmonic 74.99 115.10 # SOURCE4 31 0.2796
angle_coeff @angle:no-n2-no harmonic 62.81 103.70 # SOURCE3 1
angle_coeff @angle:no-n2-o harmonic 70.40 100.76 # SOURCE3 1 0.0000
angle_coeff @angle:no-n2-p2 harmonic 81.32 111.95 # SOURCE3 1 0.0000
angle_coeff @angle:n-n2-p2 harmonic 85.20 117.30 # SOURCE3 1 0.0000
angle_coeff @angle:n-n2-s harmonic 69.64 115.74 # SOURCE3 1 0.0000
angle_coeff @angle:oh-n2-oh harmonic 74.84 101.70 # SOURCE3 1
angle_coeff @angle:oh-n2-p2 harmonic 86.05 115.11 # SOURCE3 1 0.0000
angle_coeff @angle:oh-n2-s harmonic 69.52 116.08 # SOURCE3 1 0.0000
angle_coeff @angle:o-n2-o harmonic 81.02 115.37 # SOURCE3 1
angle_coeff @angle:o-n2-oh harmonic 75.56 112.15 # SOURCE2 2 1.4500
angle_coeff @angle:o-n2-os harmonic 75.73 110.35 # SOURCE3 2 0.0042
angle_coeff @angle:o-n2-p2 harmonic 88.65 116.08 # SOURCE3 1
angle_coeff @angle:o-n2-p3 harmonic 82.37 113.43 # SOURCE3 1 0.0000
angle_coeff @angle:o-n2-p4 harmonic 85.23 110.61 # SOURCE3 1
angle_coeff @angle:o-n2-p5 harmonic 91.73 109.11 # SOURCE3 1
angle_coeff @angle:o-n2-pe harmonic 85.18 134.56 # SOURCE3 1
angle_coeff @angle:o-n2-pf harmonic 85.18 134.56 # SOURCE3 1 same_as_o-n2-pe
angle_coeff @angle:o-n2-s4 harmonic 72.12 108.91 # SOURCE3 1
angle_coeff @angle:o-n2-s6 harmonic 73.56 111.34 # SOURCE3 1
angle_coeff @angle:o-n2-s harmonic 72.09 117.18 # SOURCE3 1
angle_coeff @angle:o-n2-sh harmonic 65.55 114.98 # SOURCE3 1 0.0000
angle_coeff @angle:os-n2-os harmonic 71.25 110.29 # SOURCE3 1
angle_coeff @angle:os-n2-p2 harmonic 87.70 110.20 # SOURCE3 1 0.0000
angle_coeff @angle:o-n2-ss harmonic 68.39 115.34 # SOURCE3 1 0.0000
angle_coeff @angle:os-n2-s harmonic 70.47 112.23 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n2-p2 harmonic 107.12 116.80 # SOURCE3 1
angle_coeff @angle:p2-n2-p3 harmonic 98.43 124.48 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n2-p4 harmonic 98.27 128.37 # SOURCE3 1
angle_coeff @angle:p2-n2-p5 harmonic 104.38 123.47 # SOURCE3 1
angle_coeff @angle:p2-n2-s4 harmonic 86.26 112.10 # SOURCE3 1
angle_coeff @angle:p2-n2-s6 harmonic 86.44 115.70 # SOURCE3 1
angle_coeff @angle:p2-n2-s harmonic 85.91 117.84 # SOURCE3 1
angle_coeff @angle:p2-n2-sh harmonic 80.45 118.45 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n2-ss harmonic 82.01 120.43 # SOURCE3 1 0.0000
angle_coeff @angle:p3-n2-p3 harmonic 96.00 120.40 # SOURCE3 1
angle_coeff @angle:p3-n2-s harmonic 80.08 120.86 # SOURCE3 1 0.0000
angle_coeff @angle:p4-n2-s harmonic 77.83 131.84 # SOURCE3 1
angle_coeff @angle:p5-n2-p5 harmonic 105.81 120.60 # SOURCE3 1
angle_coeff @angle:p5-n2-s harmonic 85.34 119.89 # SOURCE3 1
angle_coeff @angle:pe-n2-s harmonic 88.59 115.73 # SOURCE3 1
angle_coeff @angle:pf-n2-s harmonic 88.59 115.73 # SOURCE3 1 same_as_pe-n2-s
angle_coeff @angle:s4-n2-s4 harmonic 66.00 119.18 # SOURCE3 1
angle_coeff @angle:s4-n2-s6 harmonic 67.18 119.18 # SOURCE3 1
angle_coeff @angle:s6-n2-s6 harmonic 68.49 119.18 # SOURCE3 1
angle_coeff @angle:sh-n2-sh harmonic 59.95 123.93 # SOURCE3 1
angle_coeff @angle:sh-n2-ss harmonic 61.33 123.93 # SOURCE3 1
angle_coeff @angle:s-n2-s harmonic 68.47 120.88 # SOURCE3 1
angle_coeff @angle:s-n2-s4 harmonic 69.20 113.00 # SOURCE3 1
angle_coeff @angle:s-n2-s6 harmonic 68.60 119.61 # SOURCE3 1
angle_coeff @angle:s-n2-sh harmonic 63.58 122.05 # SOURCE3 1 0.0000
angle_coeff @angle:s-n2-ss harmonic 66.58 118.19 # SOURCE3 1 0.0000
angle_coeff @angle:ss-n2-ss harmonic 62.92 123.93 # SOURCE3 1
angle_coeff @angle:br-n3-br harmonic 66.54 107.15 # SOURCE3 1 0.0000
angle_coeff @angle:br-n3-c3 harmonic 62.70 106.93 # SOURCE3 2 0.0000
angle_coeff @angle:c1-n3-c1 harmonic 64.09 123.34 # SOURCE3 1
angle_coeff @angle:c1-n3-f harmonic 68.22 104.70 # SOURCE2 1 0.0000
angle_coeff @angle:c1-n3-hn harmonic 47.74 118.31 # SOURCE3 1
angle_coeff @angle:c1-n3-o harmonic 70.01 116.63 # SOURCE3 1
angle_coeff @angle:c2-n3-c2 harmonic 66.22 124.68 # SOURCE3 1
angle_coeff @angle:c2-n3-hn harmonic 49.11 119.38 # SOURCE3 1
angle_coeff @angle:c3-n3-c3 harmonic 64.01 110.90 # SOURCE3 40 2.3048
angle_coeff @angle:c3-n3-cl harmonic 57.82 107.23 # SOURCE3 3 0.3673
angle_coeff @angle:c3-n3-cx harmonic 62.45 116.32 # SOURCE4 24 0.5119
angle_coeff @angle:c3-n3-cy harmonic 61.69 118.26 # SOURCE4 14 0.8788
angle_coeff @angle:c3-n3-f harmonic 66.81 103.13 # SOURCE3 2 0.0000
angle_coeff @angle:c3-n3-hn harmonic 47.13 109.92 # SOURCE3 120 2.2590
angle_coeff @angle:c3-n3-i harmonic 56.98 108.48 # SOURCE3 2 0.0000
angle_coeff @angle:c3-n3-n2 harmonic 66.23 118.75 # SOURCE2 2 2.6500
angle_coeff @angle:c3-n3-n3 harmonic 66.76 108.15 # SOURCE3 15 1.3999
angle_coeff @angle:c3-n3-n4 harmonic 67.18 109.65 # SOURCE3 3 0.1146
angle_coeff @angle:c3-n3-n harmonic 66.67 111.75 # SOURCE4 50 1.6777
angle_coeff @angle:c3-n3-nh harmonic 66.37 111.89 # SOURCE4 21 1.3006
angle_coeff @angle:c3-n3-no harmonic 66.02 111.27 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n3-o harmonic 68.68 113.31 # SOURCE3 5 8.9081
angle_coeff @angle:c3-n3-oh harmonic 69.07 106.14 # SOURCE4 14 1.1040
angle_coeff @angle:c3-n3-os harmonic 68.48 104.95 # SOURCE4 9 0.9687
angle_coeff @angle:c3-n3-p3 harmonic 75.79 121.93 # SOURCE3 3 5.6009
angle_coeff @angle:c3-n3-p5 harmonic 78.53 119.81 # SOURCE4 58 1.8367
angle_coeff @angle:c3-n3-s4 harmonic 61.45 112.91 # SOURCE3 3 0.8983
angle_coeff @angle:c3-n3-s6 harmonic 63.67 116.57 # SOURCE4 73 1.8772
angle_coeff @angle:c3-n3-s harmonic 61.46 110.02 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n3-sh harmonic 62.06 112.70 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n3-ss harmonic 61.59 116.01 # SOURCE3 3 1.1944
angle_coeff @angle:c3-n3-sy harmonic 62.43 115.27 # SOURCE4 108 1.7647
angle_coeff @angle:cl-n3-cl harmonic 53.49 108.28 # SOURCE3 1 0.0000
angle_coeff @angle:cl-n3-hn harmonic 39.61 104.39 # SOURCE3 2 0.0000
angle_coeff @angle:cl-n3-n3 harmonic 59.29 107.65 # SOURCE3 1 0.0000
angle_coeff @angle:cx-n3-cx harmonic 86.39 60.71 # SOURCE4 57 0.2359
angle_coeff @angle:cx-n3-hn harmonic 47.15 109.57 # SOURCE4 26 0.7439
angle_coeff @angle:cx-n3-p5 harmonic 78.66 119.32 # SOURCE4 71 1.1948
angle_coeff @angle:cx-n3-py harmonic 76.73 121.75 # SOURCE4 10 1.0295
angle_coeff @angle:cy-n3-cy harmonic 70.04 90.87 # SOURCE4 10 0.5777
angle_coeff @angle:cy-n3-hn harmonic 46.25 112.12 # SOURCE4 9 1.9058
angle_coeff @angle:f-n3-f harmonic 67.71 102.22 # SOURCE2 4 0.7562
angle_coeff @angle:f-n3-hn harmonic 50.78 99.80 # SOURCE2 1 0.0000
angle_coeff @angle:hn-n3-hn harmonic 41.30 107.13 # SOURCE3 44 1.9687
angle_coeff @angle:hn-n3-i harmonic 35.43 109.98 # SOURCE3 2 0.0000
angle_coeff @angle:hn-n3-n1 harmonic 52.05 110.17 # HF/6-31G* 1
angle_coeff @angle:hn-n3-n2 harmonic 51.40 115.94 # SOURCE3 1
angle_coeff @angle:hn-n3-n3 harmonic 50.16 103.98 # SOURCE3 18 1.8593
angle_coeff @angle:hn-n3-n4 harmonic 50.87 106.40 # SOURCE3 5 0.5863
angle_coeff @angle:hn-n3-n harmonic 51.02 106.57 # SOURCE3 6 1.0767
angle_coeff @angle:hn-n3-na harmonic 50.32 107.89 # SOURCE3 1
angle_coeff @angle:hn-n3-nh harmonic 50.44 107.39 # SOURCE3 11 1.6294
angle_coeff @angle:hn-n3-no harmonic 50.25 104.78 # SOURCE3 3 1.1126
angle_coeff @angle:hn-n3-o harmonic 53.14 113.32 # SOURCE3 3 4.3945
angle_coeff @angle:hn-n3-oh harmonic 53.08 101.11 # SOURCE3 4 0.9921
angle_coeff @angle:hn-n3-os harmonic 51.67 100.92 # SOURCE3 6 0.7295
angle_coeff @angle:hn-n3-p2 harmonic 54.24 120.26 # SOURCE3 1
angle_coeff @angle:hn-n3-p3 harmonic 52.93 116.89 # SOURCE3 9 3.8816
angle_coeff @angle:hn-n3-p4 harmonic 54.97 113.05 # SOURCE3 2 0.0000
angle_coeff @angle:hn-n3-p5 harmonic 56.04 113.68 # SOURCE3 6 2.1781
angle_coeff @angle:hn-n3-s4 harmonic 42.47 108.93 # SOURCE3 7 1.7819
angle_coeff @angle:hn-n3-s harmonic 41.53 109.47 # SOURCE3 1
angle_coeff @angle:hn-n3-s6 harmonic 46.06 109.33 # SOURCE4 86 0.9610
angle_coeff @angle:hn-n3-sh harmonic 43.12 108.67 # SOURCE3 3 2.5025
angle_coeff @angle:hn-n3-ss harmonic 43.36 109.85 # SOURCE3 5 2.3215
angle_coeff @angle:hn-n3-sy harmonic 44.15 109.49 # SOURCE4 278 0.7897
angle_coeff @angle:i-n3-i harmonic 60.04 111.27 # SOURCE3 1 0.0000
angle_coeff @angle:n1-n3-n1 harmonic 72.40 113.21 # HF/6-31G* 1
angle_coeff @angle:n2-n3-n2 harmonic 71.82 118.73 # SOURCE3 1
angle_coeff @angle:n2-n3-o harmonic 74.13 114.91 # SOURCE3 1
angle_coeff @angle:n3-n3-n3 harmonic 69.57 105.71 # SOURCE3 3 0.3561
angle_coeff @angle:n4-n3-n4 harmonic 69.04 113.48 # SOURCE3 1 0.0000
angle_coeff @angle:n4-n3-nh harmonic 70.91 107.14 # SOURCE3 1
angle_coeff @angle:na-n3-na harmonic 69.21 112.00 # SOURCE3 1
angle_coeff @angle:nh-n3-nh harmonic 70.75 107.15 # SOURCE3 1 0.0000
angle_coeff @angle:n-n3-n harmonic 70.25 110.55 # SOURCE3 1 0.0000
angle_coeff @angle:no-n3-no harmonic 67.04 115.26 # SOURCE3 1 0.0000
angle_coeff @angle:oh-n3-oh harmonic 72.79 107.18 # SOURCE3 1 0.0000
angle_coeff @angle:o-n3-o harmonic 71.89 126.14 # SOURCE3 1
angle_coeff @angle:o-n3-p2 harmonic 84.34 117.02 # SOURCE3 1
angle_coeff @angle:o-n3-p4 harmonic 83.38 116.65 # SOURCE3 1
angle_coeff @angle:o-n3-s4 harmonic 64.56 114.09 # SOURCE3 1
angle_coeff @angle:o-n3-s6 harmonic 68.82 113.80 # SOURCE3 1
angle_coeff @angle:o-n3-s harmonic 62.04 119.81 # SOURCE3 1
angle_coeff @angle:os-n3-os harmonic 70.79 106.52 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n3-p2 harmonic 97.53 130.13 # SOURCE3 1
angle_coeff @angle:p3-n3-p3 harmonic 98.56 118.74 # SOURCE3 3 3.3755
angle_coeff @angle:p4-n3-p4 harmonic 101.51 116.35 # SOURCE3 1
angle_coeff @angle:p5-n3-p5 harmonic 102.24 119.42 # SOURCE3 1 0.0000
angle_coeff @angle:s4-n3-s4 harmonic 60.13 120.02 # SOURCE3 1 0.0000
angle_coeff @angle:s4-n3-s6 harmonic 61.99 120.95 # SOURCE3 1
angle_coeff @angle:s6-n3-s6 harmonic 63.29 126.13 # SOURCE3 1 0.0000
angle_coeff @angle:sh-n3-sh harmonic 61.24 118.63 # SOURCE3 1 0.0000
angle_coeff @angle:sh-n3-ss harmonic 61.27 119.67 # SOURCE3 1
angle_coeff @angle:s-n3-s harmonic 56.48 131.36 # SOURCE3 1 0.0000
angle_coeff @angle:ss-n3-ss harmonic 61.60 119.57 # SOURCE3 1 0.0000
angle_coeff @angle:br-n4-br harmonic 65.14 114.82 # SOURCE3 1 0.0000
angle_coeff @angle:br-n4-hn harmonic 41.38 108.44 # SOURCE3 7 0.5630
angle_coeff @angle:c1-n4-c1 harmonic 65.53 113.87 # SOURCE3 1 0.0000
angle_coeff @angle:c1-n4-hn harmonic 48.62 110.19 # SOURCE3 7 1.0847
angle_coeff @angle:c2-n4-c2 harmonic 63.01 112.58 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n4-c3 harmonic 63.10 110.96 # SOURCE4 13 2.4632
angle_coeff @angle:c2-n4-hn harmonic 46.43 111.36 # SOURCE3 13 1.2672
angle_coeff @angle:c3-n4-c3 harmonic 62.84 110.64 # SOURCE3 13 1.3060
angle_coeff @angle:c3-n4-ca harmonic 63.61 110.40 # SOURCE4 46 1.4643
angle_coeff @angle:c3-n4-cc harmonic 62.84 111.09 # SOURCE4 7 0.7065
angle_coeff @angle:c3-n4-cl harmonic 57.92 108.04 # SOURCE3 3 0.0000
angle_coeff @angle:c3-n4-hn harmonic 46.19 110.11 # SOURCE3 100 1.3136
angle_coeff @angle:c3-n4-n3 harmonic 66.73 108.72 # SOURCE3 2 0.0000
angle_coeff @angle:c3-n4-n4 harmonic 63.72 114.07 # SOURCE3 4 0.0000
angle_coeff @angle:c3-n4-n harmonic 66.20 109.26 # SOURCE4 7 1.9859
angle_coeff @angle:c3-n4-nh harmonic 64.76 111.73 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-no harmonic 65.25 109.08 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-o harmonic 67.25 111.66 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-oh harmonic 65.90 113.73 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-os harmonic 67.38 107.42 # SOURCE3 3 3.5920
angle_coeff @angle:c3-n4-p2 harmonic 71.92 112.52 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-p3 harmonic 74.40 110.73 # SOURCE3 3 2.1084
angle_coeff @angle:c3-n4-p5 harmonic 75.11 113.22 # SOURCE3 3 0.4021
angle_coeff @angle:c3-n4-s4 harmonic 57.21 108.23 # SOURCE3 3 0.4195
angle_coeff @angle:c3-n4-s6 harmonic 57.75 111.56 # SOURCE3 3 1.8851
angle_coeff @angle:c3-n4-s harmonic 59.21 113.55 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-sh harmonic 59.13 115.81 # SOURCE3 1 0.0000
angle_coeff @angle:c3-n4-ss harmonic 59.66 113.68 # SOURCE3 3 1.1405
angle_coeff @angle:ca-n4-ca harmonic 63.21 114.48 # SOURCE3 1 0.0000
angle_coeff @angle:ca-n4-hn harmonic 47.54 108.52 # SOURCE3 5 1.1693
angle_coeff @angle:c-n4-c harmonic 61.50 108.61 # SOURCE3 1 0.0000
angle_coeff @angle:c-n4-hn harmonic 44.68 110.86 # SOURCE3 10 1.0073
angle_coeff @angle:cl-n4-cl harmonic 52.73 114.91 # SOURCE3 1 0.0000
angle_coeff @angle:cl-n4-hn harmonic 39.53 108.87 # SOURCE3 7 0.7719
angle_coeff @angle:f-n4-f harmonic 70.47 109.05 # SOURCE3 1 0.0000
angle_coeff @angle:f-n4-hn harmonic 51.67 108.39 # SOURCE3 4 0.0000
angle_coeff @angle:hn-n4-hn harmonic 40.52 108.11 # SOURCE3 208 1.4126
angle_coeff @angle:hn-n4-i harmonic 36.44 108.72 # SOURCE3 7 1.2717
angle_coeff @angle:hn-n4-n1 harmonic 51.79 109.39 # HF/6-31G* 1
angle_coeff @angle:hn-n4-n2 harmonic 42.29 109.68 # SOURCE3 19 0.6266
angle_coeff @angle:hn-n4-n3 harmonic 49.85 110.40 # SOURCE3 11 0.7307
angle_coeff @angle:hn-n4-n4 harmonic 48.09 108.66 # SOURCE3 18 1.2967
angle_coeff @angle:hn-n4-n harmonic 49.59 109.08 # SOURCE3 13 1.6047
angle_coeff @angle:hn-n4-na harmonic 49.43 109.38 # SOURCE3 25 1.0758
angle_coeff @angle:hn-n4-nh harmonic 48.36 109.92 # SOURCE3 12 0.7304
angle_coeff @angle:hn-n4-no harmonic 49.19 104.38 # SOURCE3 2 0.0000
angle_coeff @angle:hn-n4-o harmonic 52.09 109.26 # SOURCE3 6 2.1203
angle_coeff @angle:hn-n4-oh harmonic 51.12 108.09 # SOURCE3 6 1.6728
angle_coeff @angle:hn-n4-os harmonic 50.15 109.39 # SOURCE3 10 1.4403
angle_coeff @angle:hn-n4-p2 harmonic 47.71 110.50 # SOURCE3 25 1.0664
angle_coeff @angle:hn-n4-p3 harmonic 49.73 109.89 # SOURCE3 10 2.3870
angle_coeff @angle:hn-n4-p4 harmonic 47.65 111.33 # SOURCE3 3 0.0000
angle_coeff @angle:hn-n4-p5 harmonic 51.29 110.00 # SOURCE3 10 1.0282
angle_coeff @angle:hn-n4-py harmonic 47.36 117.89 # SOURCE3 8 0.0000
angle_coeff @angle:hn-n4-s4 harmonic 37.07 110.10 # SOURCE3 6 0.8471
angle_coeff @angle:hn-n4-s harmonic 41.06 106.89 # SOURCE3 6 1.0775
angle_coeff @angle:hn-n4-s6 harmonic 38.64 108.94 # SOURCE3 10 0.5715
angle_coeff @angle:hn-n4-sh harmonic 41.29 108.56 # SOURCE3 6 0.8535
angle_coeff @angle:hn-n4-ss harmonic 41.15 109.17 # SOURCE3 10 0.8455
angle_coeff @angle:i-n4-i harmonic 58.99 118.49 # SOURCE3 1 0.0000
angle_coeff @angle:n1-n4-n1 harmonic 72.69 110.67 # HF/6-31G* 1
angle_coeff @angle:n2-n4-n2 harmonic 59.43 108.64 # SOURCE3 1 0.0000
angle_coeff @angle:n3-n4-n3 harmonic 69.79 111.07 # SOURCE3 1 0.0000
angle_coeff @angle:n4-n4-n4 harmonic 65.21 115.49 # SOURCE3 1 0.0000
angle_coeff @angle:na-n4-na harmonic 66.27 119.60 # SOURCE3 1 0.0000
angle_coeff @angle:nh-n4-nh harmonic 67.83 109.38 # SOURCE3 1 0.0000
angle_coeff @angle:n-n4-n harmonic 66.68 118.62 # SOURCE3 1 0.0000
angle_coeff @angle:oh-n4-oh harmonic 72.25 108.19 # SOURCE3 1 0.0000
angle_coeff @angle:o-n4-o harmonic 70.28 120.97 # SOURCE3 1 0.0000
angle_coeff @angle:os-n4-os harmonic 72.46 104.40 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n4-p2 harmonic 89.65 113.91 # SOURCE3 2 0.0000
angle_coeff @angle:p3-n4-p3 harmonic 89.71 121.38 # SOURCE3 1 0.0000
angle_coeff @angle:p5-n4-p5 harmonic 98.15 107.02 # SOURCE3 1 0.0000
angle_coeff @angle:py-n4-py harmonic 116.94 69.79 # SOURCE3 2 0.0000
angle_coeff @angle:s4-n4-s4 harmonic 54.75 115.43 # SOURCE3 1
angle_coeff @angle:s6-n4-s6 harmonic 57.91 109.51 # SOURCE3 1 0.0000
angle_coeff @angle:sh-n4-sh harmonic 60.37 112.59 # SOURCE3 1 0.0000
angle_coeff @angle:s-n4-s harmonic 56.74 124.55 # SOURCE3 1 0.0000
angle_coeff @angle:ss-n4-ss harmonic 61.26 109.20 # SOURCE3 1 0.0000
angle_coeff @angle:br-na-br harmonic 60.55 123.00 # SOURCE3 1
angle_coeff @angle:br-na-c2 harmonic 63.61 100.48 # SOURCE3 2 1.0536
angle_coeff @angle:br-na-ca harmonic 57.15 124.81 # SOURCE3 1
angle_coeff @angle:br-na-cc harmonic 57.16 124.62 # SOURCE3 3 0.5348
angle_coeff @angle:br-na-cd harmonic 57.16 124.62 # SOURCE3 3 same_as_br-na-cc
angle_coeff @angle:br-na-nc harmonic 59.86 119.42 # SOURCE3 4 1.6703
angle_coeff @angle:br-na-nd harmonic 59.86 119.42 # SOURCE3 4 same_as_br-na-nc
angle_coeff @angle:br-na-os harmonic 63.92 104.99 # SOURCE3 1 0.0000
angle_coeff @angle:br-na-p2 harmonic 75.91 121.01 # SOURCE3 1
angle_coeff @angle:br-na-pc harmonic 76.39 120.26 # SOURCE3 3 2.1456
angle_coeff @angle:br-na-pd harmonic 76.39 120.26 # SOURCE3 3 same_as_br-na-pc
angle_coeff @angle:br-na-ss harmonic 62.46 112.28 # SOURCE3 1 0.0000
angle_coeff @angle:c1-na-c1 harmonic 67.20 117.20 # SOURCE3 1
angle_coeff @angle:c1-na-c2 harmonic 64.32 125.20 # SOURCE3 1
angle_coeff @angle:c1-na-ca harmonic 66.54 120.57 # SOURCE3 1
angle_coeff @angle:c1-na-cc harmonic 65.82 121.35 # SOURCE3 6 0.6517
angle_coeff @angle:c1-na-cd harmonic 65.82 121.35 # SOURCE3 6 0.6517
angle_coeff @angle:c1-na-nc harmonic 68.27 120.24 # SOURCE3 4 1.6849
angle_coeff @angle:c1-na-nd harmonic 68.27 120.24 # SOURCE3 4 same_as_c1-na-nc
angle_coeff @angle:c1-na-os harmonic 70.24 106.96 # SOURCE3 2 0.0000
angle_coeff @angle:c1-na-p2 harmonic 76.49 122.25 # SOURCE3 1
angle_coeff @angle:c1-na-pc harmonic 77.33 121.48 # SOURCE3 3 2.1681
angle_coeff @angle:c1-na-pd harmonic 77.33 121.48 # SOURCE3 3 same_as_c1-na-pc
angle_coeff @angle:c1-na-ss harmonic 61.89 118.30 # SOURCE3 1 0.0000
angle_coeff @angle:c2-na-c2 harmonic 67.80 110.37 # SOURCE3 6 0.5121
angle_coeff @angle:c2-na-c3 harmonic 64.23 117.20 # SOURCE3 2 0.0000
angle_coeff @angle:c2-na-ca harmonic 64.55 125.33 # SOURCE4 7 0.5648
angle_coeff @angle:c2-na-cc harmonic 63.98 125.75 # SOURCE3 10 1.5856
angle_coeff @angle:c2-na-cd harmonic 63.98 125.75 # SOURCE3 10 1.5856
angle_coeff @angle:c2-na-cl harmonic 58.85 101.01 # SOURCE3 2 1.5799
angle_coeff @angle:c2-na-f harmonic 68.64 103.11 # SOURCE3 1 0.0000
angle_coeff @angle:c2-na-hn harmonic 47.62 119.28 # SOURCE3 14 6.6027
angle_coeff @angle:c2-na-i harmonic 58.98 106.74 # SOURCE3 1 0.0000
angle_coeff @angle:c2-na-n1 harmonic 66.27 124.81 # HF/6-31G* 1
angle_coeff @angle:c2-na-n2 harmonic 65.80 125.00 # SOURCE3 1
angle_coeff @angle:c2-na-n3 harmonic 64.64 124.80 # SOURCE3 1
angle_coeff @angle:c2-na-n4 harmonic 65.19 121.32 # SOURCE3 1
angle_coeff @angle:c2-na-n harmonic 65.63 124.70 # SOURCE3 1
angle_coeff @angle:c2-na-na harmonic 65.14 124.60 # SOURCE3 1
angle_coeff @angle:c2-na-nc harmonic 67.42 120.61 # CORR 9
angle_coeff @angle:c2-na-nd harmonic 67.42 120.61 # CORR 9
angle_coeff @angle:c2-na-nh harmonic 65.04 124.98 # SOURCE3 1
angle_coeff @angle:c2-na-no harmonic 64.34 124.20 # SOURCE3 1
angle_coeff @angle:c2-na-o harmonic 68.21 125.90 # SOURCE3 1
angle_coeff @angle:c2-na-oh harmonic 65.80 123.90 # SOURCE3 1
angle_coeff @angle:c2-na-os harmonic 68.53 110.33 # SOURCE3 4 3.2172
angle_coeff @angle:c2-na-p2 harmonic 76.19 122.14 # SOURCE3 1
angle_coeff @angle:c2-na-p3 harmonic 74.55 126.10 # SOURCE3 1
angle_coeff @angle:c2-na-p4 harmonic 81.58 125.00 # SOURCE3 1
angle_coeff @angle:c2-na-p5 harmonic 76.43 125.10 # SOURCE3 1
angle_coeff @angle:c2-na-pc harmonic 76.96 121.56 # SOURCE3 3 1.6252
angle_coeff @angle:c2-na-pd harmonic 76.96 121.56 # SOURCE3 3 same_as_c2-na-pc
angle_coeff @angle:c2-na-s4 harmonic 58.37 124.90 # SOURCE3 1
angle_coeff @angle:c2-na-s6 harmonic 60.24 124.40 # SOURCE3 1
angle_coeff @angle:c2-na-s harmonic 58.90 125.80 # SOURCE3 1
angle_coeff @angle:c2-na-sh harmonic 60.23 125.10 # SOURCE3 1
angle_coeff @angle:c2-na-ss harmonic 62.34 115.53 # SOURCE3 5 1.4036
angle_coeff @angle:c3-na-c3 harmonic 60.72 125.59 # SOURCE3 1 0.0000
angle_coeff @angle:c3-na-ca harmonic 63.15 124.36 # SOURCE3 5 4.2557
angle_coeff @angle:c3-na-cc harmonic 62.56 125.09 # SOURCE3 18 1.2138
angle_coeff @angle:c3-na-cd harmonic 62.56 125.09 # SOURCE3 18 1.2138
angle_coeff @angle:c3-na-cp harmonic 63.76 119.46 # SOURCE4 7 0.4108
angle_coeff @angle:c3-na-n2 harmonic 65.48 120.05 # SOURCE4 5 0.8795
angle_coeff @angle:c3-na-n harmonic 67.37 112.68 # SOURCE4 12 0.5122
angle_coeff @angle:c3-na-nc harmonic 65.74 120.46 # SOURCE3 8 2.1625
angle_coeff @angle:c3-na-nd harmonic 65.74 120.46 # SOURCE3 8 2.1625
angle_coeff @angle:c3-na-os harmonic 68.91 104.39 # SOURCE3 3 1.2017
angle_coeff @angle:c3-na-p2 harmonic 75.04 123.12 # SOURCE3 1
angle_coeff @angle:c3-na-pc harmonic 75.89 122.11 # SOURCE3 3 2.8504
angle_coeff @angle:c3-na-pd harmonic 75.89 122.11 # SOURCE3 3 same_as_c3-na-pc
angle_coeff @angle:c3-na-sh harmonic 63.38 110.28 # SOURCE3 1
angle_coeff @angle:c3-na-ss harmonic 62.90 110.87 # SOURCE3 3 0.8260
angle_coeff @angle:ca-na-ca harmonic 66.98 120.09 # SOURCE4 321 1.7366
angle_coeff @angle:ca-na-cc harmonic 68.46 113.15 # SOURCE3 18 9.8644
angle_coeff @angle:ca-na-cd harmonic 68.46 113.15 # SOURCE3 18 9.8644
angle_coeff @angle:ca-na-cl harmonic 53.17 124.79 # SOURCE3 1
angle_coeff @angle:ca-na-cp harmonic 65.88 120.96 # SOURCE4 20 1.2820
angle_coeff @angle:ca-na-cx harmonic 63.07 124.09 # SOURCE4 12 1.8167
angle_coeff @angle:ca-na-f harmonic 65.51 116.40 # SOURCE3 1
angle_coeff @angle:ca-na-hn harmonic 47.63 125.59 # SOURCE4 437 1.1893
angle_coeff @angle:ca-na-i harmonic 55.21 121.62 # SOURCE3 1
angle_coeff @angle:ca-na-n2 harmonic 68.21 119.85 # SOURCE4 6 1.2043
angle_coeff @angle:ca-na-n4 harmonic 66.37 120.19 # SOURCE3 1
angle_coeff @angle:ca-na-n harmonic 67.34 122.00 # SOURCE3 1
angle_coeff @angle:ca-na-na harmonic 66.29 123.76 # SOURCE3 1
angle_coeff @angle:ca-na-nb harmonic 68.18 122.16 # SOURCE4 7 0.8543
angle_coeff @angle:ca-na-nc harmonic 69.27 117.85 # SOURCE3 6 3.6536
angle_coeff @angle:ca-na-nd harmonic 69.27 117.85 # SOURCE3 6 same_as_ca-na-nc
angle_coeff @angle:ca-na-nh harmonic 66.14 124.33 # SOURCE4 7 1.3855
angle_coeff @angle:ca-na-o harmonic 71.14 119.99 # SOURCE4 51 1.2671
angle_coeff @angle:ca-na-oh harmonic 66.69 124.08 # SOURCE3 1
angle_coeff @angle:ca-na-os harmonic 69.70 109.46 # SOURCE3 1 0.0000
angle_coeff @angle:ca-na-p2 harmonic 75.51 125.85 # SOURCE3 1
angle_coeff @angle:ca-na-p3 harmonic 75.50 124.38 # SOURCE3 1
angle_coeff @angle:ca-na-p4 harmonic 82.41 124.97 # SOURCE3 1
angle_coeff @angle:ca-na-p5 harmonic 77.51 123.30 # SOURCE3 1
angle_coeff @angle:ca-na-pc harmonic 77.26 122.13 # SOURCE3 3 2.2393
angle_coeff @angle:ca-na-pd harmonic 77.26 122.13 # SOURCE3 3 same_as_ca-na-pc
angle_coeff @angle:ca-na-py harmonic 72.61 140.88 # SOURCE3 2 0.0000
angle_coeff @angle:ca-na-s4 harmonic 60.55 117.23 # SOURCE3 1
angle_coeff @angle:ca-na-s6 harmonic 61.55 120.69 # SOURCE3 1
angle_coeff @angle:ca-na-s harmonic 59.27 125.64 # SOURCE3 1
angle_coeff @angle:ca-na-sh harmonic 60.55 125.44 # SOURCE3 1
angle_coeff @angle:ca-na-ss harmonic 59.16 129.91 # SOURCE4 8 0.1449
angle_coeff @angle:cc-na-cc harmonic 68.94 109.90 # SOURCE3 109 1.5547
angle_coeff @angle:cc-na-cd harmonic 63.88 128.01 # SOURCE3 1 0.0000
angle_coeff @angle:cc-na-ce harmonic 63.05 126.61 # SOURCE4 8 0.5158
angle_coeff @angle:cc-na-cl harmonic 53.10 124.61 # SOURCE3 3 0.5208
angle_coeff @angle:cc-na-f harmonic 64.60 118.03 # SOURCE3 4 0.3081
angle_coeff @angle:cc-na-hn harmonic 47.02 125.50 # CORR 861
angle_coeff @angle:cc-na-i harmonic 54.34 125.70 # SOURCE3 6 0.7821
angle_coeff @angle:cc-na-n2 harmonic 66.83 122.96 # SOURCE3 15 0.9350
angle_coeff @angle:cc-na-n4 harmonic 65.90 120.31 # SOURCE3 10 3.4394
angle_coeff @angle:cc-na-n harmonic 66.52 123.19 # SOURCE3 13 0.3010
angle_coeff @angle:cc-na-na harmonic 65.91 123.43 # SOURCE3 23 0.2088
angle_coeff @angle:cc-na-nc harmonic 70.18 113.02 # SOURCE3 38 2.2867
angle_coeff @angle:cc-na-nd harmonic 66.41 126.22 # CORR 124
angle_coeff @angle:cc-na-nh harmonic 66.23 122.25 # SOURCE3 19 0.2010
angle_coeff @angle:cc-na-no harmonic 65.40 121.78 # SOURCE3 9 0.3521
angle_coeff @angle:cc-na-o harmonic 69.01 125.21 # SOURCE3 10 0.0124
angle_coeff @angle:cc-na-oh harmonic 66.67 122.38 # SOURCE3 10 0.1570
angle_coeff @angle:cc-na-os harmonic 67.01 116.86 # CORR 48
angle_coeff @angle:cc-na-p2 harmonic 75.29 125.86 # SOURCE3 14 2.2993
angle_coeff @angle:cc-na-p3 harmonic 75.02 125.25 # SOURCE3 8 0.1998
angle_coeff @angle:cc-na-p4 harmonic 81.11 127.73 # SOURCE3 7 3.6077
angle_coeff @angle:cc-na-p5 harmonic 76.81 124.70 # SOURCE3 13 1.4225
angle_coeff @angle:cc-na-s4 harmonic 59.45 121.03 # SOURCE3 10 0.5589
angle_coeff @angle:cc-na-s6 harmonic 60.98 122.19 # SOURCE3 10 0.9634
angle_coeff @angle:cc-na-s harmonic 59.10 125.66 # SOURCE3 8 0.1880
angle_coeff @angle:cc-na-sh harmonic 60.71 123.96 # SOURCE3 10 0.3424
angle_coeff @angle:cc-na-ss harmonic 61.34 120.10 # CORR 44
angle_coeff @angle:cd-na-cd harmonic 68.94 109.90 # SOURCE3 109 1.5547
angle_coeff @angle:cd-na-cl harmonic 53.10 124.61 # SOURCE3 3 same_as_cc-na-cl
angle_coeff @angle:cd-na-f harmonic 64.60 118.03 # SOURCE3 4 0.3081
angle_coeff @angle:cd-na-hn harmonic 47.02 125.50 # CORR 861
angle_coeff @angle:cd-na-i harmonic 54.34 125.70 # SOURCE3 6 0.7821
angle_coeff @angle:cd-na-n2 harmonic 66.83 122.96 # SOURCE3 15 0.9350
angle_coeff @angle:cd-na-n4 harmonic 65.90 120.31 # SOURCE3 10 3.4394
angle_coeff @angle:cd-na-n harmonic 66.52 123.19 # SOURCE3 13 0.3010
angle_coeff @angle:cd-na-na harmonic 65.91 123.43 # SOURCE3 23 0.2088
angle_coeff @angle:cd-na-nc harmonic 66.41 126.22 # CORR 124
angle_coeff @angle:cd-na-nd harmonic 70.18 113.02 # SOURCE3 38 2.2867
angle_coeff @angle:cd-na-nh harmonic 66.23 122.25 # SOURCE3 19 0.2010
angle_coeff @angle:cd-na-no harmonic 65.40 121.78 # SOURCE3 9 0.3521
angle_coeff @angle:cd-na-o harmonic 69.01 125.21 # SOURCE3 10 0.0124
angle_coeff @angle:cd-na-oh harmonic 66.67 122.38 # SOURCE3 10 0.1570
angle_coeff @angle:cd-na-os harmonic 67.01 116.86 # CORR 48
angle_coeff @angle:cd-na-p2 harmonic 75.29 125.86 # SOURCE3 14 2.2993
angle_coeff @angle:cd-na-p3 harmonic 75.02 125.25 # SOURCE3 8 0.1998
angle_coeff @angle:cd-na-p4 harmonic 81.11 127.73 # SOURCE3 7 same_as_cc-na-p4
angle_coeff @angle:cd-na-p5 harmonic 76.81 124.70 # SOURCE3 13 1.4225
angle_coeff @angle:cd-na-s4 harmonic 59.45 121.03 # SOURCE3 10 0.5589
angle_coeff @angle:cd-na-s6 harmonic 60.98 122.19 # SOURCE3 10 0.9634
angle_coeff @angle:cd-na-s harmonic 59.10 125.66 # SOURCE3 8 0.1880
angle_coeff @angle:cd-na-sh harmonic 60.71 123.96 # SOURCE3 10 0.3424
angle_coeff @angle:cd-na-ss harmonic 61.34 120.10 # CORR 44
angle_coeff @angle:cl-na-cl harmonic 48.73 122.80 # SOURCE3 1
angle_coeff @angle:cl-na-nc harmonic 55.70 119.36 # SOURCE3 4 1.7128
angle_coeff @angle:cl-na-nd harmonic 55.70 119.36 # SOURCE3 4 same_as_cl-na-nc
angle_coeff @angle:cl-na-os harmonic 58.63 106.58 # SOURCE3 1 0.0000
angle_coeff @angle:cl-na-p2 harmonic 68.67 121.29 # SOURCE3 1
angle_coeff @angle:cl-na-pc harmonic 69.19 120.51 # SOURCE3 3 2.1985
angle_coeff @angle:cl-na-pd harmonic 69.19 120.51 # SOURCE3 3 same_as_cl-na-pc
angle_coeff @angle:cl-na-ss harmonic 56.71 111.91 # SOURCE3 1 0.0000
angle_coeff @angle:f-na-f harmonic 62.22 120.20 # SOURCE3 1
angle_coeff @angle:f-na-nc harmonic 66.64 118.05 # SOURCE3 4 1.7931
angle_coeff @angle:f-na-nd harmonic 66.64 118.05 # SOURCE3 4 same_as_f-na-nc
angle_coeff @angle:f-na-os harmonic 69.15 103.86 # SOURCE3 1 0.0000
angle_coeff @angle:f-na-p2 harmonic 75.54 119.95 # SOURCE3 1
angle_coeff @angle:f-na-pc harmonic 76.37 119.10 # SOURCE3 3 2.3967
angle_coeff @angle:f-na-pd harmonic 76.37 119.10 # SOURCE3 3 same_as_f-na-pc
angle_coeff @angle:f-na-ss harmonic 63.34 108.01 # SOURCE3 1 0.0000
angle_coeff @angle:hn-na-hn harmonic 39.83 116.80 # SOURCE3 1
angle_coeff @angle:hn-na-n harmonic 50.90 111.26 # SOURCE4 5 1.1280
angle_coeff @angle:hn-na-nc harmonic 50.00 119.61 # SOURCE3 16 1.8079
angle_coeff @angle:hn-na-nd harmonic 50.00 119.61 # SOURCE3 16 1.8079
angle_coeff @angle:hn-na-os harmonic 51.44 101.41 # SOURCE3 7 3.0814
angle_coeff @angle:hn-na-p2 harmonic 51.02 122.52 # SOURCE3 1
angle_coeff @angle:hn-na-pc harmonic 51.81 121.48 # SOURCE3 3 2.9355
angle_coeff @angle:hn-na-pd harmonic 51.81 121.48 # SOURCE3 3 same_as_hn-na-pc
angle_coeff @angle:hn-na-ss harmonic 42.24 113.95 # SOURCE3 1 0.0000
angle_coeff @angle:i-na-i harmonic 58.32 124.20 # SOURCE3 1
angle_coeff @angle:i-na-nc harmonic 56.94 120.03 # SOURCE3 4 2.0032
angle_coeff @angle:i-na-nd harmonic 56.94 120.03 # SOURCE3 4 same_as_i-na-nc
angle_coeff @angle:i-na-os harmonic 59.85 109.91 # SOURCE3 1 0.0000
angle_coeff @angle:i-na-p2 harmonic 73.36 122.28 # SOURCE3 1
angle_coeff @angle:i-na-pc harmonic 73.81 121.40 # SOURCE3 3 2.4763
angle_coeff @angle:i-na-pd harmonic 73.81 121.40 # SOURCE3 3 same_as_i-na-pc
angle_coeff @angle:i-na-ss harmonic 59.04 118.40 # SOURCE3 1 0.0000
angle_coeff @angle:n2-na-n2 harmonic 70.35 116.71 # SOURCE3 1
angle_coeff @angle:n2-na-nc harmonic 69.85 119.96 # SOURCE3 4 4.5041
angle_coeff @angle:n2-na-nd harmonic 69.85 119.96 # SOURCE3 4 same_as_n2-na-nc
angle_coeff @angle:n2-na-os harmonic 70.33 111.53 # SOURCE3 1 0.0000
angle_coeff @angle:n2-na-p2 harmonic 77.46 124.88 # SOURCE3 1
angle_coeff @angle:n2-na-pc harmonic 78.60 123.18 # SOURCE3 3 4.7947
angle_coeff @angle:n2-na-pd harmonic 78.60 123.18 # SOURCE3 3 same_as_n2-na-pc
angle_coeff @angle:n2-na-ss harmonic 61.71 124.64 # SOURCE3 1 0.0000
angle_coeff @angle:n3-na-n3 harmonic 65.77 124.00 # SOURCE3 1
angle_coeff @angle:n4-na-n4 harmonic 68.57 111.70 # SOURCE3 1
angle_coeff @angle:n4-na-nc harmonic 69.09 116.44 # SOURCE3 4 3.6604
angle_coeff @angle:n4-na-nd harmonic 69.09 116.44 # SOURCE3 4 same_as_n4-na-nc
angle_coeff @angle:n4-na-os harmonic 71.61 102.97 # SOURCE3 1 0.0000
angle_coeff @angle:n4-na-p2 harmonic 77.04 123.56 # SOURCE3 1
angle_coeff @angle:n4-na-pc harmonic 78.10 121.98 # SOURCE3 3 4.4884
angle_coeff @angle:n4-na-pd harmonic 78.10 121.98 # SOURCE3 3 same_as_n4-na-pc
angle_coeff @angle:na-na-na harmonic 66.77 123.60 # SOURCE3 1
angle_coeff @angle:na-na-nc harmonic 69.08 119.64 # SOURCE3 4 1.6920
angle_coeff @angle:na-na-nd harmonic 69.08 119.64 # SOURCE3 4 same_as_na-na-nc
angle_coeff @angle:na-na-os harmonic 70.25 109.47 # SOURCE3 1 0.0000
angle_coeff @angle:na-na-p2 harmonic 78.07 121.72 # SOURCE3 1
angle_coeff @angle:na-na-pc harmonic 78.92 120.91 # SOURCE3 3 2.3033
angle_coeff @angle:na-na-pd harmonic 78.92 120.91 # SOURCE3 3 same_as_na-na-pc
angle_coeff @angle:na-na-ss harmonic 63.50 116.50 # SOURCE3 1 0.0000
angle_coeff @angle:nc-na-nc harmonic 71.20 117.08 # SOURCE3 31 1.8121
angle_coeff @angle:nc-na-nd harmonic 69.53 122.77 # SOURCE4 5 0.1352
angle_coeff @angle:nc-na-nh harmonic 68.82 120.55 # SOURCE3 8 1.1436
angle_coeff @angle:nc-na-no harmonic 68.19 119.15 # SOURCE3 4 1.6049
angle_coeff @angle:nc-na-o harmonic 72.04 122.79 # SOURCE3 6 1.3154
angle_coeff @angle:nc-na-oh harmonic 69.71 119.22 # SOURCE3 4 1.7201
angle_coeff @angle:nc-na-os harmonic 68.30 119.65 # SOURCE3 4 1.5019
angle_coeff @angle:nc-na-p2 harmonic 79.23 119.99 # SOURCE3 4 3.6009
angle_coeff @angle:nc-na-p3 harmonic 78.72 120.07 # SOURCE3 4 3.7188
angle_coeff @angle:nc-na-p4 harmonic 86.25 119.77 # SOURCE3 3 0.3747
angle_coeff @angle:nc-na-p5 harmonic 80.84 118.95 # SOURCE3 4 3.1194
angle_coeff @angle:nc-na-pc harmonic 80.31 118.66 # SOURCE3 27 1.5082
angle_coeff @angle:nc-na-s4 harmonic 61.52 119.20 # SOURCE3 4 2.3841
angle_coeff @angle:nc-na-s6 harmonic 63.45 119.24 # SOURCE3 4 2.2262
angle_coeff @angle:nc-na-s harmonic 61.55 122.26 # SOURCE3 4 0.9173
angle_coeff @angle:nc-na-sh harmonic 63.29 120.50 # SOURCE3 4 1.5016
angle_coeff @angle:nc-na-ss harmonic 62.94 120.50 # SOURCE3 4 1.5615
angle_coeff @angle:nd-na-nd harmonic 71.20 117.08 # SOURCE3 31 1.8121
angle_coeff @angle:nd-na-nh harmonic 68.82 120.55 # SOURCE3 8 same_as_nc-na-nh
angle_coeff @angle:nd-na-no harmonic 68.19 119.15 # SOURCE3 4 same_as_nc-na-no
angle_coeff @angle:nd-na-o harmonic 72.04 122.79 # SOURCE3 6 same_as_nc-na-o
angle_coeff @angle:nd-na-oh harmonic 69.71 119.22 # SOURCE3 4 same_as_nc-na-oh
angle_coeff @angle:nd-na-os harmonic 68.30 119.65 # SOURCE3 4 same_as_nc-na-os
angle_coeff @angle:nd-na-p2 harmonic 79.23 119.99 # SOURCE3 4 same_as_nc-na-p2
angle_coeff @angle:nd-na-p3 harmonic 78.72 120.07 # SOURCE3 4 same_as_nc-na-p3
angle_coeff @angle:nd-na-p4 harmonic 86.25 119.77 # SOURCE3 3 same_as_nc-na-p4
angle_coeff @angle:nd-na-p5 harmonic 80.84 118.95 # SOURCE3 4 same_as_nc-na-p5
angle_coeff @angle:nd-na-pd harmonic 80.31 118.66 # SOURCE3 27 same_as_nc-na-pc
angle_coeff @angle:nd-na-s4 harmonic 61.52 119.20 # SOURCE3 4 same_as_nc-na-s4
angle_coeff @angle:nd-na-s6 harmonic 63.45 119.24 # SOURCE3 4 same_as_nc-na-s6
angle_coeff @angle:nd-na-s harmonic 61.55 122.26 # SOURCE3 4 same_as_nc-na-s
angle_coeff @angle:nd-na-sh harmonic 63.29 120.50 # SOURCE3 4 same_as_nc-na-sh
angle_coeff @angle:nd-na-ss harmonic 62.94 120.50 # SOURCE3 4 same_as_nc-na-ss
angle_coeff @angle:nh-na-nh harmonic 66.77 123.60 # SOURCE3 1
angle_coeff @angle:nh-na-os harmonic 69.65 111.37 # SOURCE3 1 0.0000
angle_coeff @angle:nh-na-p2 harmonic 78.35 120.86 # SOURCE3 1
angle_coeff @angle:nh-na-pc harmonic 79.10 120.38 # SOURCE3 6 1.3513
angle_coeff @angle:nh-na-pd harmonic 79.10 120.38 # SOURCE3 6 same_as_nh-na-pc
angle_coeff @angle:nh-na-ss harmonic 64.66 112.35 # SOURCE3 2 5.2951
angle_coeff @angle:n-na-n harmonic 67.78 123.80 # SOURCE3 1
angle_coeff @angle:n-na-nc harmonic 69.61 119.85 # SOURCE3 4 1.6156
angle_coeff @angle:n-na-nd harmonic 69.61 119.85 # SOURCE3 4 same_as_n-na-nc
angle_coeff @angle:no-na-no harmonic 65.22 122.80 # SOURCE3 1
angle_coeff @angle:no-na-os harmonic 70.30 106.55 # SOURCE3 1 0.0000
angle_coeff @angle:no-na-pc harmonic 78.65 120.11 # SOURCE3 3 2.0821
angle_coeff @angle:no-na-pd harmonic 78.65 120.11 # SOURCE3 3 same_as_no-na-pc
angle_coeff @angle:n-na-os harmonic 72.34 104.71 # SOURCE3 1 0.0000
angle_coeff @angle:no-na-ss harmonic 63.49 114.95 # SOURCE3 1 0.0000
angle_coeff @angle:n-na-p2 harmonic 78.46 121.35 # SOURCE3 1
angle_coeff @angle:n-na-pc harmonic 79.30 120.64 # SOURCE3 3 2.0168
angle_coeff @angle:n-na-pd harmonic 79.30 120.64 # SOURCE3 3 same_as_n-na-pc
angle_coeff @angle:n-na-ss harmonic 63.84 116.10 # SOURCE3 1 0.0000
angle_coeff @angle:oh-na-oh harmonic 68.13 122.20 # SOURCE3 1
angle_coeff @angle:oh-na-p2 harmonic 78.88 120.76 # SOURCE3 1
angle_coeff @angle:oh-na-pc harmonic 79.74 119.99 # SOURCE3 3 2.1734
angle_coeff @angle:oh-na-pd harmonic 79.74 119.99 # SOURCE3 3 same_as_oh-na-pc
angle_coeff @angle:oh-na-ss harmonic 64.88 113.04 # SOURCE3 1 0.0000
angle_coeff @angle:o-na-o harmonic 74.03 126.20 # SOURCE3 1
angle_coeff @angle:o-na-os harmonic 70.76 118.39 # SOURCE3 1 0.0000
angle_coeff @angle:o-na-p2 harmonic 79.51 122.80 # SOURCE3 1
angle_coeff @angle:o-na-pc harmonic 80.36 122.34 # SOURCE3 3 1.2908
angle_coeff @angle:o-na-pd harmonic 80.36 122.34 # SOURCE3 3 same_as_o-na-pc
angle_coeff @angle:os-na-os harmonic 71.29 104.45 # SOURCE3 2 0.0983
angle_coeff @angle:os-na-p2 harmonic 79.21 117.86 # SOURCE3 1 0.0000
angle_coeff @angle:os-na-p3 harmonic 83.58 104.70 # SOURCE3 1 0.0000
angle_coeff @angle:os-na-p5 harmonic 82.64 111.41 # SOURCE3 1 0.0000
angle_coeff @angle:os-na-pc harmonic 79.09 119.91 # SOURCE3 3 1.9002
angle_coeff @angle:os-na-pd harmonic 79.09 119.91 # SOURCE3 3 same_as_os-na-pc
angle_coeff @angle:os-na-s4 harmonic 64.81 105.88 # SOURCE3 2 0.0000
angle_coeff @angle:os-na-s6 harmonic 64.80 112.00 # SOURCE3 2 0.0000
angle_coeff @angle:os-na-ss harmonic 65.33 109.64 # SOURCE3 3 4.1395
angle_coeff @angle:p2-na-p2 harmonic 96.62 120.91 # SOURCE3 1
angle_coeff @angle:p2-na-p3 harmonic 94.74 124.80 # SOURCE3 1
angle_coeff @angle:p2-na-p5 harmonic 96.33 123.99 # SOURCE3 1
angle_coeff @angle:p2-na-pc harmonic 97.16 120.72 # SOURCE3 3 0.2407
angle_coeff @angle:p2-na-pd harmonic 97.16 120.72 # SOURCE3 3 same_as_p2-na-pc
angle_coeff @angle:p2-na-s4 harmonic 74.88 122.47 # SOURCE3 1
angle_coeff @angle:p2-na-s6 harmonic 76.31 122.50 # SOURCE3 1
angle_coeff @angle:p2-na-s harmonic 75.69 121.85 # SOURCE3 1
angle_coeff @angle:p2-na-sh harmonic 76.68 121.75 # SOURCE3 1
angle_coeff @angle:p2-na-ss harmonic 76.38 121.88 # SOURCE3 1
angle_coeff @angle:p3-na-p3 harmonic 93.72 126.60 # SOURCE3 1
angle_coeff @angle:p3-na-pc harmonic 95.76 123.32 # SOURCE3 3 4.1781
angle_coeff @angle:p3-na-pd harmonic 95.76 123.32 # SOURCE3 3 same_as_p3-na-pc
angle_coeff @angle:p5-na-p5 harmonic 97.06 124.60 # SOURCE3 1
angle_coeff @angle:p5-na-pc harmonic 97.33 122.69 # SOURCE3 3 3.6738
angle_coeff @angle:p5-na-pd harmonic 97.33 122.69 # SOURCE3 3 same_as_p5-na-pc
angle_coeff @angle:p5-na-ss harmonic 78.22 118.52 # SOURCE3 1 0.0000
angle_coeff @angle:pc-na-pc harmonic 97.62 120.78 # SOURCE3 27 1.6457
angle_coeff @angle:pc-na-s4 harmonic 75.52 121.51 # SOURCE3 3 2.7242
angle_coeff @angle:pc-na-s6 harmonic 76.99 121.55 # SOURCE3 3 2.7065
angle_coeff @angle:pc-na-s harmonic 76.17 121.47 # SOURCE3 3 1.0668
angle_coeff @angle:pc-na-sh harmonic 77.28 121.08 # SOURCE3 3 1.8942
angle_coeff @angle:pc-na-ss harmonic 76.97 121.20 # SOURCE3 3 1.9295
angle_coeff @angle:pd-na-pd harmonic 97.62 120.78 # SOURCE3 27 same_as_pc-na-pc
angle_coeff @angle:pd-na-s4 harmonic 75.52 121.51 # SOURCE3 3 same_as_pc-na-s4
angle_coeff @angle:pd-na-s6 harmonic 76.99 121.55 # SOURCE3 3 same_as_pc-na-s6
angle_coeff @angle:pd-na-s harmonic 76.17 121.47 # SOURCE3 3 same_as_pc-na-s
angle_coeff @angle:pd-na-sh harmonic 77.28 121.08 # SOURCE3 3 same_as_pc-na-sh
angle_coeff @angle:pd-na-ss harmonic 76.97 121.20 # SOURCE3 3 same_as_pc-na-ss
angle_coeff @angle:py-na-py harmonic 122.69 78.25 # SOURCE3 1 0.0000
angle_coeff @angle:s4-na-s4 harmonic 58.05 124.20 # SOURCE3 1
angle_coeff @angle:s4-na-s6 harmonic 62.00 112.86 # SOURCE3 1
angle_coeff @angle:s4-na-ss harmonic 62.16 111.92 # SOURCE3 1 0.0000
angle_coeff @angle:s6-na-s6 harmonic 60.51 123.20 # SOURCE3 1
angle_coeff @angle:s6-na-ss harmonic 61.44 119.10 # SOURCE3 1 0.0000
angle_coeff @angle:sh-na-sh harmonic 60.38 124.60 # SOURCE3 1
angle_coeff @angle:sh-na-ss harmonic 61.63 118.79 # SOURCE3 1 0.0000
angle_coeff @angle:s-na-s harmonic 58.55 126.00 # SOURCE3 1
angle_coeff @angle:s-na-ss harmonic 62.52 112.49 # SOURCE3 1 0.0000
angle_coeff @angle:ss-na-ss harmonic 62.90 113.24 # SOURCE3 2 6.6084
angle_coeff @angle:sy-na-sy harmonic 60.51 123.20 # SOURCE3 1
angle_coeff @angle:ca-nb-ca harmonic 68.59 115.86 # SOURCE3 46 1.1645
angle_coeff @angle:ca-nb-cp harmonic 68.01 118.04 # SOURCE4 58 0.7819
angle_coeff @angle:ca-nb-cq harmonic 68.01 118.04 # SOURCE4 58 same as ca-nb-cp
angle_coeff @angle:ca-nb-nb harmonic 69.37 118.89 # SOURCE3 10 0.6031
angle_coeff @angle:cp-nb-nb harmonic 68.79 121.11 # SOURCE4 12 0.4315
angle_coeff @angle:nb-nb-nb harmonic 70.44 121.04 # SOURCE3 1 0.0000
angle_coeff @angle:br-n-br harmonic 66.59 116.20 # SOURCE3 1 0.0000
angle_coeff @angle:br-n-c harmonic 61.85 120.77 # SOURCE3 5 2.6390
angle_coeff @angle:br-n-ca harmonic 62.07 118.19 # SOURCE3 1
angle_coeff @angle:br-n-cc harmonic 62.34 118.19 # SOURCE3 1 same_as_br-n-cd
angle_coeff @angle:br-n-cd harmonic 62.34 118.19 # SOURCE3 1 0.0000
angle_coeff @angle:c1-n-c1 harmonic 73.52 102.69 # SOURCE3 1
angle_coeff @angle:c1-n-ca harmonic 65.90 118.88 # SOURCE3 1
angle_coeff @angle:c1-n-cc harmonic 67.02 118.88 # SOURCE3 1 same_as_c1-n-cd
angle_coeff @angle:c1-n-cd harmonic 67.02 118.88 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n-c2 harmonic 65.18 116.75 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n-c3 harmonic 63.06 119.98 # SOURCE4 23 2.3373
angle_coeff @angle:c2-n-ca harmonic 64.88 116.54 # SOURCE3 1
angle_coeff @angle:c2-n-cc harmonic 65.85 116.54 # SOURCE3 1 same_as_c2-n-cd
angle_coeff @angle:c2-n-cd harmonic 65.85 116.54 # SOURCE3 1 0.0000
angle_coeff @angle:c2-n-hn harmonic 47.33 118.36 # SOURCE4 40 1.8005
angle_coeff @angle:c3-n-c3 harmonic 63.13 115.56 # SOURCE4 392 2.0191
angle_coeff @angle:c3-n-ca harmonic 62.76 119.96 # SOURCE4 165 2.0808
angle_coeff @angle:c3-n-cc harmonic 63.33 121.00 # CORR 267
angle_coeff @angle:c3-n-cd harmonic 63.33 121.00 # CORR 267
angle_coeff @angle:c3-n-cy harmonic 62.51 117.11 # SOURCE4 49 1.0344
angle_coeff @angle:c3-n-hn harmonic 46.04 116.78 # SOURCE3 39 2.1985
angle_coeff @angle:c3-n-n2 harmonic 64.89 121.68 # SOURCE4 52 1.3175
angle_coeff @angle:c3-n-n harmonic 66.40 114.82 # SOURCE4 9 0.7008
angle_coeff @angle:c3-n-nc harmonic 66.97 115.21 # CORR 48
angle_coeff @angle:c3-n-nd harmonic 66.97 115.21 # CORR 48
angle_coeff @angle:c3-n-oh harmonic 66.88 113.05 # SOURCE4 31 0.8144
angle_coeff @angle:c3-n-os harmonic 66.99 112.65 # SOURCE4 16 1.5399
angle_coeff @angle:c3-n-sy harmonic 60.53 121.27 # SOURCE4 5 1.1298
angle_coeff @angle:ca-n-ca harmonic 64.31 117.39 # SOURCE4 39 1.6465
angle_coeff @angle:ca-n-cc harmonic 66.19 114.06 # CORR 34
angle_coeff @angle:ca-n-cd harmonic 66.19 114.06 # CORR 34
angle_coeff @angle:ca-n-cl harmonic 57.24 117.72 # SOURCE3 1
angle_coeff @angle:ca-n-f harmonic 64.62 114.92 # SOURCE3 1
angle_coeff @angle:ca-n-hn harmonic 47.36 115.94 # SOURCE4 537 1.8890
angle_coeff @angle:ca-n-i harmonic 56.58 119.30 # SOURCE3 1
angle_coeff @angle:ca-n-n2 harmonic 65.72 122.17 # SOURCE4 5 0.2545
angle_coeff @angle:ca-n-n4 harmonic 64.15 122.98 # SOURCE3 1
angle_coeff @angle:ca-n-n harmonic 66.30 118.54 # SOURCE4 21 0.3399
angle_coeff @angle:ca-n-na harmonic 66.33 119.31 # SOURCE4 16 0.3168
angle_coeff @angle:ca-n-nc harmonic 68.25 114.36 # CORR 6
angle_coeff @angle:ca-n-nd harmonic 68.25 114.36 # CORR 6
angle_coeff @angle:ca-n-nh harmonic 66.60 116.45 # SOURCE3 1
angle_coeff @angle:ca-n-p2 harmonic 79.60 112.32 # SOURCE3 1
angle_coeff @angle:ca-n-p3 harmonic 74.22 125.11 # SOURCE3 1
angle_coeff @angle:ca-n-s4 harmonic 59.97 118.40 # SOURCE3 1
angle_coeff @angle:ca-n-s6 harmonic 62.01 117.32 # SOURCE3 1
angle_coeff @angle:ca-n-ss harmonic 62.15 116.60 # SOURCE3 1
angle_coeff @angle:c-n-c1 harmonic 68.47 117.04 # SOURCE3 1 0.0000
angle_coeff @angle:c-n-c2 harmonic 65.09 122.15 # SOURCE3 9 5.1016
angle_coeff @angle:c-n-c3 harmonic 63.92 121.35 # SOURCE3 54 2.3808
angle_coeff @angle:c3-nc-cd harmonic 67.60 109.51 # SOURCE3 9 5.4142
angle_coeff @angle:c-n-c harmonic 65.33 127.14 # SOURCE4 514 2.0111
angle_coeff @angle:c-n-ca harmonic 64.29 123.71 # SOURCE3 10 3.8159
angle_coeff @angle:ca-nc-ca harmonic 70.73 109.95 # SOURCE3 1
angle_coeff @angle:ca-nc-cd harmonic 72.43 104.94 # CORR 437
angle_coeff @angle:ca-nc-n harmonic 73.68 104.69 # CORR 2
angle_coeff @angle:ca-nc-na harmonic 74.57 102.74 # CORR 14
angle_coeff @angle:ca-nc-os harmonic 73.08 104.48 # CORR 10
angle_coeff @angle:ca-nc-ss harmonic 67.84 116.29 # SOURCE3 1
angle_coeff @angle:c-n-cc harmonic 65.24 124.19 # SOURCE3 57 2.2262
angle_coeff @angle:c-nc-ca harmonic 66.11 120.66 # CORR 2
angle_coeff @angle:cc-n-cc harmonic 68.80 108.92 # SOURCE3 11 0.3167
angle_coeff @angle:cc-nc-cc harmonic 70.50 104.34 # CORR 6
angle_coeff @angle:cc-nc-cd harmonic 71.08 105.67 # CORR 1240
angle_coeff @angle:c-nc-cd harmonic 66.18 120.48 # CORR 138
angle_coeff @angle:cc-n-cl harmonic 57.67 117.72 # SOURCE3 1 same_as_cd-n-cl
angle_coeff @angle:cc-nc-na harmonic 73.38 102.97 # SOURCE3 1 0.0000
angle_coeff @angle:cc-nc-nd harmonic 72.54 107.94 # SOURCE3 6 1.4052
angle_coeff @angle:c-n-cd harmonic 65.24 124.19 # SOURCE3 57 2.2262
angle_coeff @angle:cd-nc-cd harmonic 68.53 117.28 # CORR 17
angle_coeff @angle:cd-nc-n harmonic 69.66 117.19 # CORR 64
angle_coeff @angle:cd-nc-na harmonic 74.24 103.73 # SOURCE3 122 2.3292
angle_coeff @angle:cd-nc-nc harmonic 71.99 107.88 # CORR 355
angle_coeff @angle:cd-nc-os harmonic 73.04 104.66 # CORR 116
angle_coeff @angle:cd-nc-ss harmonic 70.36 108.15 # CORR 45
angle_coeff @angle:c-n-ce harmonic 62.21 131.83 # SOURCE4 146 1.3048
angle_coeff @angle:cc-n-f harmonic 65.61 114.92 # SOURCE3 1 same_as_cd-n-f
angle_coeff @angle:cc-n-hn harmonic 47.99 119.14 # CORR 276
angle_coeff @angle:cc-n-i harmonic 56.61 119.30 # SOURCE3 1 same_as_cd-n-i
angle_coeff @angle:c-n-cl harmonic 58.34 116.35 # SOURCE4 11 0.6829
angle_coeff @angle:cc-n-n2 harmonic 70.09 110.87 # SOURCE3 1 same_as_cd-n-n2
angle_coeff @angle:cc-n-n harmonic 66.53 121.37 # SOURCE3 1 same_as_cd-n-n
angle_coeff @angle:cc-n-na harmonic 67.87 117.57 # SOURCE3 1 same_as_cd-n-na
angle_coeff @angle:cc-n-nc harmonic 70.08 112.03 # CORR 14
angle_coeff @angle:cc-n-nh harmonic 67.30 117.52 # SOURCE3 1 same_as_cd-n-nh
angle_coeff @angle:cc-n-no harmonic 66.40 115.92 # SOURCE3 1 same_as_cd-n-no
angle_coeff @angle:cc-n-o harmonic 70.07 120.54 # SOURCE3 1 same_as_cd-n-o
angle_coeff @angle:cc-n-oh harmonic 67.32 118.15 # SOURCE3 1 same_as_cd-n-oh
angle_coeff @angle:cc-n-os harmonic 68.06 115.56 # SOURCE3 1 same_as_cd-n-os
angle_coeff @angle:cc-n-p2 harmonic 80.17 112.32 # SOURCE3 1 same_as_cd-n-p2
angle_coeff @angle:cc-n-p3 harmonic 74.70 125.11 # SOURCE3 1 same_as_cd-n-p3
angle_coeff @angle:cc-n-p5 harmonic 78.11 121.00 # SOURCE3 1 same_as_cd-n-p5
angle_coeff @angle:cc-n-s4 harmonic 60.34 118.40 # SOURCE3 1 same_as_cd-n-s4
angle_coeff @angle:cc-n-s6 harmonic 62.48 117.32 # SOURCE3 1 same_as_cd-n-s6
angle_coeff @angle:cc-n-s harmonic 60.78 118.29 # SOURCE3 1 same_as_cd-n-s
angle_coeff @angle:cc-n-sh harmonic 61.64 119.13 # SOURCE3 1 same_as_cd-n-sh
angle_coeff @angle:cc-n-ss harmonic 62.62 116.60 # SOURCE3 2 same_as_cd-n-ss
angle_coeff @angle:c-n-cx harmonic 64.22 122.07 # SOURCE4 11 1.9478
angle_coeff @angle:c-n-cy harmonic 72.26 94.23 # SOURCE4 270 1.3777
angle_coeff @angle:cd-n-cd harmonic 68.80 108.92 # SOURCE3 11 same_as_cc-n-cc
angle_coeff @angle:cd-n-cl harmonic 57.67 117.72 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-f harmonic 65.61 114.92 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-hn harmonic 47.99 119.14 # CORR 276
angle_coeff @angle:cd-n-i harmonic 56.61 119.30 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-n2 harmonic 70.09 110.87 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-n harmonic 66.53 121.37 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-na harmonic 67.87 117.57 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-nd harmonic 70.08 112.03 # CORR 14
angle_coeff @angle:cd-n-nh harmonic 67.30 117.52 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-no harmonic 66.40 115.92 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-o harmonic 70.07 120.54 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-oh harmonic 67.32 118.15 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-os harmonic 68.06 115.56 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-p2 harmonic 80.17 112.32 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-p3 harmonic 74.70 125.11 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-p5 harmonic 78.11 121.00 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-s4 harmonic 60.34 118.40 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-s6 harmonic 62.48 117.32 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-s harmonic 60.78 118.29 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-sh harmonic 61.64 119.13 # SOURCE3 1 0.0000
angle_coeff @angle:cd-n-ss harmonic 62.62 116.60 # SOURCE3 2 1.8318
angle_coeff @angle:ce-n-cy harmonic 64.70 111.89 # CORR 152
angle_coeff @angle:c-n-f harmonic 68.30 108.63 # SOURCE3 3 4.6785
angle_coeff @angle:cf-n-cy harmonic 64.70 111.89 # CORR 152
angle_coeff @angle:c-n-hn harmonic 49.21 118.46 # SOURCE3 157 2.4094
angle_coeff @angle:c-n-i harmonic 56.34 120.38 # SOURCE3 5 2.1600
angle_coeff @angle:cl-n-cl harmonic 54.70 111.69 # SOURCE3 1 0.0000
angle_coeff @angle:c-n-n2 harmonic 68.06 120.59 # SOURCE3 9 3.2410
angle_coeff @angle:c-n-n3 harmonic 67.13 120.43 # SOURCE3 5 0.9481
angle_coeff @angle:c-n-n4 harmonic 68.85 112.32 # SOURCE3 5 1.2622
angle_coeff @angle:c-n-n harmonic 68.18 118.42 # SOURCE3 10 2.8922
angle_coeff @angle:c-n-na harmonic 68.25 119.20 # SOURCE3 11 2.3032
angle_coeff @angle:na-nc-nd harmonic 75.97 105.47 # SOURCE3 6 0.6349
angle_coeff @angle:c-n-nc harmonic 67.16 125.19 # CORR 84
angle_coeff @angle:nc-nc-nd harmonic 73.11 111.29 # CORR 61
angle_coeff @angle:c-n-nd harmonic 67.16 125.19 # CORR 84
angle_coeff @angle:nd-nc-os harmonic 74.42 107.22 # SOURCE3 3 0.4707
angle_coeff @angle:c-n-nh harmonic 68.02 117.81 # SOURCE4 21 1.5935
angle_coeff @angle:c-n-no harmonic 66.47 118.16 # SOURCE3 4 5.4870
angle_coeff @angle:c-n-o harmonic 71.64 118.90 # SOURCE3 9 5.4085
angle_coeff @angle:c-n-oh harmonic 69.53 113.39 # SOURCE3 6 1.3345
angle_coeff @angle:c-n-os harmonic 69.60 113.14 # SOURCE3 7 3.0839
angle_coeff @angle:c-n-p2 harmonic 76.53 124.56 # SOURCE3 8 3.6907
angle_coeff @angle:c-n-p3 harmonic 75.82 122.54 # SOURCE3 9 4.4802
angle_coeff @angle:c-n-p4 harmonic 76.84 123.44 # SOURCE3 1 0.0000
angle_coeff @angle:c-n-p5 harmonic 76.23 128.50 # SOURCE4 6 0.5353
angle_coeff @angle:c-n-pc harmonic 77.00 122.23 # SOURCE3 3 2.8787
angle_coeff @angle:c-n-pd harmonic 77.00 122.23 # SOURCE3 3 same_as_c-n-pc
angle_coeff @angle:c-n-s4 harmonic 60.09 120.41 # SOURCE3 4 3.1760
angle_coeff @angle:c-n-s6 harmonic 60.86 125.01 # SOURCE4 13 1.6314
angle_coeff @angle:c-n-s harmonic 59.04 126.55 # SOURCE3 3 4.3365
angle_coeff @angle:c-n-sh harmonic 61.87 119.54 # SOURCE3 4 1.7681
angle_coeff @angle:c-n-ss harmonic 61.97 120.37 # SOURCE3 7 1.4450
angle_coeff @angle:c-n-sy harmonic 60.91 124.81 # SOURCE4 51 1.0517
angle_coeff @angle:cx-n-hn harmonic 46.26 118.58 # SOURCE4 5 0.3288
angle_coeff @angle:cx-n-os harmonic 97.40 54.04 # SOURCE3 1 0.0000
angle_coeff @angle:cy-n-hn harmonic 45.34 119.00 # SOURCE4 65 1.3840
angle_coeff @angle:c3-nd-cc harmonic 67.60 109.51 # SOURCE3 9 same_as_c3-nc-cd
angle_coeff @angle:ca-nd-ca harmonic 70.73 109.95 # SOURCE3 1 same_as_ca-nc-ca
angle_coeff @angle:ca-nd-cc harmonic 72.43 104.94 # CORR 437
angle_coeff @angle:ca-nd-n harmonic 73.68 104.69 # CORR 2
angle_coeff @angle:ca-nd-na harmonic 74.57 102.74 # CORR 14
angle_coeff @angle:ca-nd-nc harmonic 73.55 108.41 # SOURCE4 9 0.1575
angle_coeff @angle:ca-nd-os harmonic 73.08 104.48 # CORR 10
angle_coeff @angle:ca-nd-ss harmonic 67.84 116.29 # SOURCE3 1 same_as_ca-nc-ss
angle_coeff @angle:c-nd-ca harmonic 66.11 120.66 # CORR 2
angle_coeff @angle:c-nd-cc harmonic 66.18 120.48 # CORR 138
angle_coeff @angle:cc-nd-cc harmonic 68.53 117.28 # CORR 17
angle_coeff @angle:cc-nd-cd harmonic 71.08 105.67 # CORR 1240
angle_coeff @angle:cc-nd-n harmonic 69.66 117.19 # CORR 64
angle_coeff @angle:cc-nd-na harmonic 74.24 103.73 # SOURCE3 122 2.3292
angle_coeff @angle:cc-nd-nd harmonic 71.99 107.88 # CORR 355
angle_coeff @angle:cc-nd-os harmonic 73.04 104.66 # CORR 116
angle_coeff @angle:cc-nd-ss harmonic 70.36 108.15 # CORR 45
angle_coeff @angle:cd-nd-cd harmonic 70.50 104.34 # CORR 6
angle_coeff @angle:cd-nd-na harmonic 73.38 102.97 # SOURCE3 1 same_as_cc-nc-na
angle_coeff @angle:cd-nd-nc harmonic 72.54 107.94 # SOURCE3 6 1.4052
angle_coeff @angle:na-nd-nc harmonic 75.97 105.47 # SOURCE3 6 0.6349
angle_coeff @angle:nc-nd-nd harmonic 73.11 111.29 # CORR 61
angle_coeff @angle:nc-nd-os harmonic 74.42 107.22 # SOURCE3 3 same_as_nd-nc-os
angle_coeff @angle:c1-ne-ca harmonic 60.41 150.84 # CORR 9
angle_coeff @angle:c1-ne-cg harmonic 66.00 140.00 # SOURCE2 1 0.0000
angle_coeff @angle:c2-ne-ca harmonic 66.09 120.84 # CORR 55
angle_coeff @angle:c2-ne-ce harmonic 67.33 118.17 # SOURCE3 3 1.2374
angle_coeff @angle:c2-ne-cg harmonic 68.36 123.58 # SOURCE4 12 0.8560
angle_coeff @angle:c2-ne-n2 harmonic 74.56 113.31 # SOURCE3 1
angle_coeff @angle:c2-ne-ne harmonic 69.17 110.86 # SOURCE3 7 4.5874
angle_coeff @angle:c2-ne-p2 harmonic 80.83 134.03 # SOURCE3 1
angle_coeff @angle:c2-ne-pe harmonic 79.24 120.52 # SOURCE3 8 8.1381
angle_coeff @angle:c2-ne-px harmonic 80.57 117.75 # SOURCE3 5 0.8581
angle_coeff @angle:c2-ne-py harmonic 84.33 117.04 # SOURCE3 3 1.4398
angle_coeff @angle:c2-ne-sx harmonic 60.95 111.98 # SOURCE3 3 0.4090
angle_coeff @angle:c2-ne-sy harmonic 61.78 118.92 # CORR 9
angle_coeff @angle:ca-ne-cf harmonic 65.56 121.98 # CORR 15
angle_coeff @angle:ca-ne-n2 harmonic 69.73 114.06 # CORR 11
angle_coeff @angle:ca-ne-nf harmonic 69.69 115.12 # CORR 44
angle_coeff @angle:ca-ne-o harmonic 71.10 113.96 # SOURCE3 3 1.1253
angle_coeff @angle:ca-ne-p2 harmonic 83.08 118.09 # SOURCE3 1 0.0000
angle_coeff @angle:ca-ne-s harmonic 65.75 120.11 # SOURCE3 1 0.0000
angle_coeff @angle:c-ne-c2 harmonic 67.85 118.53 # CORR 6
angle_coeff @angle:ce-ne-n2 harmonic 71.16 111.19 # SOURCE3 1 0.0000
angle_coeff @angle:ce-ne-o harmonic 72.26 112.16 # SOURCE3 1 0.0000
angle_coeff @angle:ce-ne-p2 harmonic 83.85 117.02 # SOURCE3 1 0.0000
angle_coeff @angle:ce-ne-s harmonic 67.15 116.28 # SOURCE3 1 0.0000
angle_coeff @angle:cg-ne-n1 harmonic 71.71 120.20 # SOURCE2 1 0.0000
angle_coeff @angle:cg-ne-n2 harmonic 73.16 113.39 # SOURCE3 1 0.0000
angle_coeff @angle:cg-ne-o harmonic 74.43 114.70 # SOURCE2 1 0.0000
angle_coeff @angle:cg-ne-p2 harmonic 84.75 119.57 # SOURCE3 1 0.0000
angle_coeff @angle:cg-ne-s harmonic 68.28 117.70 # SOURCE3 1 0.0000
angle_coeff @angle:c-ne-sy harmonic 61.66 116.05 # SOURCE4 6 1.2661
angle_coeff @angle:n2-ne-n2 harmonic 78.59 107.22 # SOURCE3 1
angle_coeff @angle:n2-ne-ne harmonic 70.94 110.72 # SOURCE3 9 6.1488
angle_coeff @angle:n2-ne-o harmonic 78.09 114.10 # SOURCE3 1 0.0000
angle_coeff @angle:n2-ne-p2 harmonic 91.59 109.66 # SOURCE3 1
angle_coeff @angle:n2-ne-pe harmonic 84.18 112.15 # SOURCE3 7 6.5273
angle_coeff @angle:n2-ne-px harmonic 83.20 115.97 # SOURCE3 3 1.9854
angle_coeff @angle:n2-ne-py harmonic 87.34 114.60 # SOURCE3 3 2.9261
angle_coeff @angle:n2-ne-s harmonic 71.27 115.90 # SOURCE3 1 0.0000
angle_coeff @angle:n2-ne-sx harmonic 63.80 107.29 # SOURCE3 1 0.0000
angle_coeff @angle:n2-ne-sy harmonic 65.46 111.21 # SOURCE3 1 0.0000
angle_coeff @angle:ne-ne-o harmonic 72.28 110.45 # SOURCE3 10 1.8535
angle_coeff @angle:ne-ne-p2 harmonic 85.32 114.39 # SOURCE3 6 4.0528
angle_coeff @angle:ne-ne-s harmonic 67.59 115.95 # SOURCE3 6 3.4604
angle_coeff @angle:o-ne-o harmonic 76.91 124.09 # SOURCE3 2 8.7534
angle_coeff @angle:o-ne-pe harmonic 78.32 132.32 # SOURCE3 11 23.9559
angle_coeff @angle:o-ne-px harmonic 86.11 110.62 # SOURCE3 1 0.0000
angle_coeff @angle:o-ne-py harmonic 90.01 110.79 # SOURCE3 4 1.6818
angle_coeff @angle:o-ne-s harmonic 71.99 117.19 # SOURCE3 2 0.0225
angle_coeff @angle:o-ne-sx harmonic 63.79 108.92 # SOURCE3 1 0.0000
angle_coeff @angle:o-ne-sy harmonic 66.05 111.34 # SOURCE3 1 0.0000
angle_coeff @angle:p2-ne-pe harmonic 104.56 116.81 # SOURCE3 1 0.0000
angle_coeff @angle:p2-ne-px harmonic 100.10 128.35 # SOURCE3 1 0.0000
angle_coeff @angle:p2-ne-py harmonic 105.15 123.47 # SOURCE3 1 0.0000
angle_coeff @angle:p2-ne-sx harmonic 80.48 112.12 # SOURCE3 1 0.0000
angle_coeff @angle:p2-ne-sy harmonic 81.80 115.73 # SOURCE3 1 0.0000
angle_coeff @angle:pe-ne-s harmonic 83.52 115.73 # SOURCE3 1 0.0000
angle_coeff @angle:px-ne-s harmonic 78.54 131.84 # SOURCE3 1 0.0000
angle_coeff @angle:py-ne-s harmonic 86.30 116.18 # SOURCE3 4 3.7135
angle_coeff @angle:s-ne-s harmonic 68.65 120.87 # SOURCE3 1 0.0000
angle_coeff @angle:s-ne-sx harmonic 63.66 112.96 # SOURCE3 1 0.0000
angle_coeff @angle:s-ne-sy harmonic 63.94 119.63 # SOURCE3 1 0.0000
angle_coeff @angle:c1-nf-ca harmonic 60.41 150.84 # CORR 9
angle_coeff @angle:c1-nf-ch harmonic 66.00 140.00 # SOURCE2 1 same_as_c1-ne-cg
angle_coeff @angle:c2-nf-ca harmonic 66.09 120.84 # CORR 55
angle_coeff @angle:c2-nf-cf harmonic 67.33 118.17 # SOURCE3 3 same_as_c2-ne-ce
angle_coeff @angle:c2-nf-n2 harmonic 74.56 113.31 # SOURCE3 1 same_as_c2-ne-n2
angle_coeff @angle:c2-nf-nf harmonic 69.17 110.86 # SOURCE3 7 same_as_c2-ne-ne
angle_coeff @angle:c2-nf-p2 harmonic 80.83 134.03 # SOURCE3 1 same_as_c2-ne-p2
angle_coeff @angle:c2-nf-pf harmonic 79.24 120.52 # SOURCE3 8 same_as_c2-ne-pe
angle_coeff @angle:c2-nf-px harmonic 80.57 117.75 # SOURCE3 5 same_as_c2-ne-px
angle_coeff @angle:c2-nf-py harmonic 84.33 117.04 # SOURCE3 3 same_as_c2-ne-py
angle_coeff @angle:c2-nf-sx harmonic 60.95 111.98 # SOURCE3 3 same_as_c2-ne-sx
angle_coeff @angle:c2-nf-sy harmonic 61.78 118.92 # CORR 9
angle_coeff @angle:ca-nf-ce harmonic 65.56 121.98 # CORR 15
angle_coeff @angle:ca-nf-n2 harmonic 69.73 114.06 # CORR 11
angle_coeff @angle:ca-nf-ne harmonic 69.69 115.12 # CORR 44
angle_coeff @angle:ca-nf-o harmonic 71.10 113.96 # SOURCE3 3 same_as_ca-ne-o
angle_coeff @angle:ca-nf-p2 harmonic 83.08 118.09 # SOURCE3 1 same_as_ca-ne-p2
angle_coeff @angle:ca-nf-s harmonic 65.75 120.11 # SOURCE3 1 same_as_ca-ne-s
angle_coeff @angle:c-nf-c2 harmonic 67.85 118.53 # CORR 6
angle_coeff @angle:cf-nf-n2 harmonic 71.16 111.19 # SOURCE3 1 same_as_ce-ne-n2
angle_coeff @angle:cf-nf-o harmonic 72.26 112.16 # SOURCE3 1 same_as_ce-ne-o
angle_coeff @angle:cf-nf-p2 harmonic 83.85 117.02 # SOURCE3 1 same_as_ce-ne-p2
angle_coeff @angle:cf-nf-s harmonic 67.15 116.28 # SOURCE3 1 same_as_ce-ne-s
angle_coeff @angle:ch-nf-n1 harmonic 71.71 120.20 # SOURCE2 1 same_as_cg-ne-n1
angle_coeff @angle:ch-nf-n2 harmonic 73.16 113.39 # SOURCE3 1 same_as_cg-ne-n2
angle_coeff @angle:ch-nf-o harmonic 74.43 114.70 # SOURCE2 1 same_as_cg-ne-o
angle_coeff @angle:ch-nf-p2 harmonic 84.75 119.57 # SOURCE3 1 same_as_cg-ne-p2
angle_coeff @angle:ch-nf-s harmonic 68.28 117.70 # SOURCE3 1 same_as_cg-ne-s
angle_coeff @angle:f-n-f harmonic 67.90 102.98 # SOURCE3 1 0.0000
angle_coeff @angle:n2-nf-n2 harmonic 78.59 107.22 # SOURCE3 1 same_as_n2-ne-n2
angle_coeff @angle:n2-nf-nf harmonic 70.94 110.72 # SOURCE3 9 same_as_n2-ne-ne
angle_coeff @angle:n2-nf-o harmonic 78.09 114.10 # SOURCE3 1 same_as_n2-ne-o
angle_coeff @angle:n2-nf-p2 harmonic 91.59 109.66 # SOURCE3 1 same_as_n2-ne-p2
angle_coeff @angle:n2-nf-pf harmonic 84.18 112.15 # SOURCE3 7 same_as_n2-ne-pe
angle_coeff @angle:n2-nf-px harmonic 83.20 115.97 # SOURCE3 3 same_as_n2-ne-px
angle_coeff @angle:n2-nf-py harmonic 87.34 114.60 # SOURCE3 3 same_as_n2-ne-py
angle_coeff @angle:n2-nf-s harmonic 71.27 115.90 # SOURCE3 1 same_as_n2-ne-s
angle_coeff @angle:n2-nf-sx harmonic 63.80 107.29 # SOURCE3 1 same_as_n2-ne-sx
angle_coeff @angle:n2-nf-sy harmonic 65.46 111.21 # SOURCE3 1 same_as_n2-ne-sy
angle_coeff @angle:nf-nf-o harmonic 72.28 110.45 # SOURCE3 10 same_as_ne-ne-o
angle_coeff @angle:nf-nf-p2 harmonic 85.32 114.39 # SOURCE3 6 same_as_ne-ne-p2
angle_coeff @angle:nf-nf-s harmonic 67.59 115.95 # SOURCE3 6 same_as_ne-ne-s
angle_coeff @angle:o-nf-o harmonic 76.91 124.09 # SOURCE3 2 same_as_o-ne-o
angle_coeff @angle:o-nf-pf harmonic 78.32 132.32 # SOURCE3 11 same_as_o-ne-pe
angle_coeff @angle:o-nf-px harmonic 86.11 110.62 # SOURCE3 1 same_as_o-ne-px
angle_coeff @angle:o-nf-py harmonic 90.01 110.79 # SOURCE3 4 same_as_o-ne-py
angle_coeff @angle:o-nf-s harmonic 71.99 117.19 # SOURCE3 2 same_as_o-ne-s
angle_coeff @angle:o-nf-sx harmonic 63.79 108.92 # SOURCE3 1 same_as_o-ne-sx
angle_coeff @angle:o-nf-sy harmonic 66.05 111.34 # SOURCE3 1 same_as_o-ne-sy
angle_coeff @angle:p2-nf-pf harmonic 104.56 116.81 # SOURCE3 1 same_as_p2-ne-pe
angle_coeff @angle:p2-nf-px harmonic 100.10 128.35 # SOURCE3 1 same_as_p2-ne-px
angle_coeff @angle:p2-nf-py harmonic 105.15 123.47 # SOURCE3 1 same_as_p2-ne-py
angle_coeff @angle:p2-nf-sx harmonic 80.48 112.12 # SOURCE3 1 same_as_p2-ne-sx
angle_coeff @angle:p2-nf-sy harmonic 81.80 115.73 # SOURCE3 1 same_as_p2-ne-sy
angle_coeff @angle:pf-nf-s harmonic 83.52 115.73 # SOURCE3 1 same_as_pe-ne-s
angle_coeff @angle:px-nf-s harmonic 78.54 131.84 # SOURCE3 1 same_as_px-ne-s
angle_coeff @angle:py-nf-s harmonic 86.30 116.18 # SOURCE3 4 same_as_py-ne-s
angle_coeff @angle:s-nf-s harmonic 68.65 120.87 # SOURCE3 1 same_as_s-ne-s
angle_coeff @angle:s-nf-sx harmonic 63.66 112.96 # SOURCE3 1 same_as_s-ne-sx
angle_coeff @angle:s-nf-sy harmonic 63.94 119.63 # SOURCE3 1 same_as_s-ne-sy
angle_coeff @angle:br-nh-br harmonic 67.09 106.27 # SOURCE3 1
angle_coeff @angle:br-nh-ca harmonic 62.04 111.88 # SOURCE3 1 0.0000
angle_coeff @angle:br-nh-hn harmonic 42.11 101.56 # SOURCE3 1 0.0000
angle_coeff @angle:c1-nh-c1 harmonic 68.33 116.98 # SOURCE3 1 0.0000
angle_coeff @angle:c1-nh-c2 harmonic 66.36 122.71 # SOURCE4 5 1.0077
angle_coeff @angle:c1-nh-ca harmonic 66.22 122.36 # SOURCE3 3 1.2016
angle_coeff @angle:c1-nh-hn harmonic 49.55 117.30 # SOURCE4 8 0.7120
angle_coeff @angle:c2-nh-c2 harmonic 65.54 124.50 # SOURCE4 43 1.7515
angle_coeff @angle:c2-nh-c3 harmonic 63.17 123.71 # SOURCE3 8 3.5348
angle_coeff @angle:c2-nh-ca harmonic 64.59 127.34 # SOURCE4 97 2.4321
angle_coeff @angle:c2-nh-cc harmonic 64.92 126.03 # CORR 11
angle_coeff @angle:c2-nh-cd harmonic 64.92 126.03 # CORR 11
angle_coeff @angle:c2-nh-cx harmonic 63.08 124.44 # SOURCE4 10 1.6817
angle_coeff @angle:c2-nh-hn harmonic 49.62 114.89 # SOURCE4 1000 1.4571
angle_coeff @angle:c2-nh-n2 harmonic 68.36 120.00 # SOURCE4 33 1.1823
angle_coeff @angle:c2-nh-n3 harmonic 67.57 116.98 # SOURCE4 14 1.4183
angle_coeff @angle:c2-nh-no harmonic 66.09 125.63 # SOURCE4 7 0.7554
angle_coeff @angle:c2-nh-oh harmonic 69.45 112.51 # SOURCE4 12 1.1687
angle_coeff @angle:c2-nh-os harmonic 69.27 112.93 # SOURCE4 6 0.3945
angle_coeff @angle:c2-nh-sy harmonic 61.76 121.13 # SOURCE4 10 0.5133
angle_coeff @angle:c3-nh-c3 harmonic 63.53 114.44 # SOURCE4 523 2.1428
angle_coeff @angle:c3-nh-ca harmonic 64.56 117.77 # SOURCE3 8 1.7521
angle_coeff @angle:c3-nh-cc harmonic 64.17 119.23 # CORR 163
angle_coeff @angle:c3-nh-cd harmonic 64.17 119.23 # CORR 163
angle_coeff @angle:c3-nh-cf harmonic 63.47 119.92 # SOURCE4 20 1.8571
angle_coeff @angle:c3-nh-cz harmonic 63.01 125.51 # SOURCE4 12 0.5177
angle_coeff @angle:c3-nh-hn harmonic 46.46 114.95 # SOURCE3 19 2.4787
angle_coeff @angle:c3-nh-n2 harmonic 67.89 112.35 # SOURCE3 9 4.0058
angle_coeff @angle:c3-nh-n harmonic 67.10 111.71 # SOURCE4 6 2.4251
angle_coeff @angle:c3-nh-na harmonic 66.92 112.43 # SOURCE4 8 1.4219
angle_coeff @angle:c3-nh-p2 harmonic 77.12 123.35 # SOURCE3 1 0.0000
angle_coeff @angle:c3-nh-sy harmonic 61.91 116.12 # SOURCE4 13 1.2830
angle_coeff @angle:ca-nh-ca harmonic 64.34 127.46 # SOURCE3 2 0.0002
angle_coeff @angle:ca-nh-cc harmonic 63.77 129.77 # CORR 38
angle_coeff @angle:ca-nh-cd harmonic 63.77 129.77 # CORR 38
angle_coeff @angle:ca-nh-cl harmonic 57.67 113.15 # SOURCE3 1 0.0000
angle_coeff @angle:ca-nh-cx harmonic 63.11 123.63 # SOURCE4 36 0.5899
angle_coeff @angle:ca-nh-f harmonic 67.90 106.09 # SOURCE3 3 1.0660
angle_coeff @angle:ca-nh-hn harmonic 49.08 116.13 # SOURCE4 1780 1.2853
angle_coeff @angle:ca-nh-i harmonic 55.55 117.83 # SOURCE3 1 0.0000
angle_coeff @angle:ca-nh-n1 harmonic 69.37 117.13 # HF/6-31G* 1
angle_coeff @angle:ca-nh-n2 harmonic 67.82 121.11 # SOURCE4 19 0.9700
angle_coeff @angle:ca-nh-n3 harmonic 68.18 114.21 # SOURCE3 6 2.2412
angle_coeff @angle:ca-nh-n4 harmonic 68.56 108.94 # SOURCE3 5 0.6562
angle_coeff @angle:ca-nh-n harmonic 68.07 116.15 # SOURCE4 12 0.8135
angle_coeff @angle:ca-nh-na harmonic 68.58 114.54 # SOURCE3 8 0.7807
angle_coeff @angle:ca-nh-nh harmonic 68.49 114.87 # SOURCE3 6 2.1432
angle_coeff @angle:ca-nh-no harmonic 69.19 113.92 # SOURCE3 4 2.9561
angle_coeff @angle:ca-nh-o harmonic 69.64 121.92 # SOURCE3 2 3.9630
angle_coeff @angle:ca-nh-oh harmonic 69.15 112.80 # SOURCE3 1 0.0000
angle_coeff @angle:ca-nh-os harmonic 69.93 110.17 # SOURCE3 3 0.6448
angle_coeff @angle:ca-nh-p2 harmonic 77.99 125.27 # SOURCE3 8 5.1798
angle_coeff @angle:ca-nh-p3 harmonic 76.07 125.70 # SOURCE3 3 5.7796
angle_coeff @angle:ca-nh-p4 harmonic 77.43 124.01 # SOURCE3 3 2.5810
angle_coeff @angle:ca-nh-p5 harmonic 78.16 125.61 # SOURCE3 3 0.5287
angle_coeff @angle:ca-nh-s4 harmonic 62.13 115.62 # SOURCE3 3 0.3434
angle_coeff @angle:ca-nh-s6 harmonic 61.56 123.53 # SOURCE4 33 2.0385
angle_coeff @angle:ca-nh-s harmonic 59.38 122.54 # SOURCE3 3 2.7001
angle_coeff @angle:ca-nh-sh harmonic 61.78 121.41 # SOURCE3 1 0.0000
angle_coeff @angle:ca-nh-ss harmonic 61.75 121.50 # SOURCE3 3 2.6255
angle_coeff @angle:ca-nh-sy harmonic 60.64 125.26 # SOURCE4 41 1.7517
angle_coeff @angle:cc-nh-cx harmonic 63.09 123.72 # CORR 58
angle_coeff @angle:cc-nh-hn harmonic 48.86 117.16 # SOURCE3 11 2.6137
angle_coeff @angle:cc-nh-n2 harmonic 68.23 119.66 # SOURCE4 5 1.3903
angle_coeff @angle:cc-nh-sy harmonic 61.22 122.91 # SOURCE4 23 1.2029
angle_coeff @angle:cd-nh-cx harmonic 63.09 123.72 # CORR 58
angle_coeff @angle:cd-nh-hn harmonic 48.86 117.16 # SOURCE3 11 2.6137
angle_coeff @angle:ce-nh-hn harmonic 48.38 115.62 # CORR 203
angle_coeff @angle:ce-nh-o harmonic 66.85 129.43 # CORR 2
angle_coeff @angle:ce-nh-sy harmonic 63.58 112.97 # SOURCE4 7 1.0636
angle_coeff @angle:cf-nh-hn harmonic 48.38 115.62 # CORR 203
angle_coeff @angle:cf-nh-o harmonic 66.85 129.43 # CORR 2
angle_coeff @angle:cl-nh-cl harmonic 54.43 106.60 # SOURCE3 1
angle_coeff @angle:cl-nh-hn harmonic 40.07 104.14 # SOURCE3 1 0.0000
angle_coeff @angle:cx-nh-cx harmonic 86.53 62.02 # SOURCE4 45 0.6189
angle_coeff @angle:cx-nh-hn harmonic 45.79 118.89 # SOURCE4 8 0.1391
angle_coeff @angle:cz-nh-hn harmonic 48.79 121.24 # SOURCE4 40 0.5682
angle_coeff @angle:f-nh-f harmonic 66.93 101.70 # SOURCE3 1 0.0000
angle_coeff @angle:f-nh-hn harmonic 49.80 101.23 # SOURCE3 1 0.0000
angle_coeff @angle:hn-nh-hn harmonic 40.05 114.85 # SOURCE4 1108 2.0811
angle_coeff @angle:hn-nh-i harmonic 36.55 107.57 # SOURCE3 1 0.0000
angle_coeff @angle:hn-nh-n1 harmonic 52.31 110.57 # HF/6-31G* 1
angle_coeff @angle:hn-nh-n2 harmonic 50.08 118.22 # SOURCE4 75 2.3319
angle_coeff @angle:hn-nh-n3 harmonic 50.05 109.12 # SOURCE3 5 2.3680
angle_coeff @angle:hn-nh-n4 harmonic 49.69 104.40 # SOURCE3 3 0.5056
angle_coeff @angle:hn-nh-n harmonic 50.89 107.96 # SOURCE4 16 1.2025
angle_coeff @angle:hn-nh-na harmonic 50.95 107.91 # SOURCE3 26 1.5528
angle_coeff @angle:hn-nh-nh harmonic 50.32 110.64 # SOURCE4 8 1.3390
angle_coeff @angle:hn-nh-no harmonic 50.99 109.93 # SOURCE4 7 0.2027
angle_coeff @angle:hn-nh-o harmonic 52.99 116.45 # SOURCE3 2 0.6063
angle_coeff @angle:hn-nh-oh harmonic 51.13 106.55 # SOURCE4 8 0.4590
angle_coeff @angle:hn-nh-os harmonic 51.51 104.76 # SOURCE3 3 0.4883
angle_coeff @angle:hn-nh-p2 harmonic 54.38 118.18 # SOURCE3 21 3.6927
angle_coeff @angle:hn-nh-p3 harmonic 53.06 116.19 # SOURCE3 3 3.0539
angle_coeff @angle:hn-nh-p4 harmonic 54.74 112.60 # SOURCE3 3 0.8237
angle_coeff @angle:hn-nh-p5 harmonic 55.35 115.26 # SOURCE3 3 0.9168
angle_coeff @angle:hn-nh-s4 harmonic 43.06 107.48 # SOURCE3 3 1.3960
angle_coeff @angle:hn-nh-s harmonic 40.81 114.37 # SOURCE3 1 0.0000
angle_coeff @angle:hn-nh-s6 harmonic 44.04 109.98 # SOURCE4 29 0.7478
angle_coeff @angle:hn-nh-sh harmonic 43.27 112.25 # SOURCE3 1 0.0000
angle_coeff @angle:hn-nh-ss harmonic 42.95 113.89 # SOURCE3 3 1.4030
angle_coeff @angle:hn-nh-sy harmonic 43.28 111.23 # SOURCE4 62 1.1413
angle_coeff @angle:i-nh-i harmonic 59.80 115.82 # SOURCE3 1
angle_coeff @angle:n1-nh-n1 harmonic 75.13 106.71 # HF/6-31G* 1
angle_coeff @angle:n2-nh-n2 harmonic 70.76 117.50 # SOURCE3 2 1.1907
angle_coeff @angle:n2-nh-n3 harmonic 69.63 115.54 # SOURCE3 1 0.0000
angle_coeff @angle:n2-nh-o harmonic 70.40 126.06 # SOURCE3 1 0.0000
angle_coeff @angle:n3-nh-n3 harmonic 69.52 110.98 # SOURCE3 1 0.0000
angle_coeff @angle:n4-nh-n4 harmonic 68.15 108.36 # SOURCE3 1 0.0000
angle_coeff @angle:na-nh-na harmonic 70.14 112.01 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-hn harmonic 39.73 117.85 # SOURCE3 15 2.3694
angle_coeff @angle:nh-nh-nh harmonic 70.07 112.23 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-i harmonic 36.08 117.24 # SOURCE3 2 0.4435
angle_coeff @angle:hn-n-n2 harmonic 49.62 118.33 # SOURCE3 5 2.2377
angle_coeff @angle:hn-n-n3 harmonic 48.69 117.22 # SOURCE4 37 1.3737
angle_coeff @angle:hn-n-n4 harmonic 48.90 112.68 # SOURCE3 3 1.9746
angle_coeff @angle:hn-n-n harmonic 50.14 113.12 # SOURCE3 7 3.2954
angle_coeff @angle:hn-n-na harmonic 50.40 113.55 # SOURCE3 8 1.9324
angle_coeff @angle:hn-n-nc harmonic 50.74 115.24 # SOURCE4 10 0.4966
angle_coeff @angle:hn-n-nh harmonic 49.74 113.13 # SOURCE4 12 1.2125
angle_coeff @angle:hn-n-no harmonic 48.71 110.11 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-o harmonic 53.83 116.32 # SOURCE3 2 0.0175
angle_coeff @angle:n-nh-o harmonic 72.07 115.63 # SOURCE3 1
angle_coeff @angle:hn-n-oh harmonic 50.33 110.71 # SOURCE4 46 1.1278
angle_coeff @angle:no-nh-no harmonic 72.07 108.55 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-os harmonic 50.52 109.82 # SOURCE4 12 0.6996
angle_coeff @angle:hn-n-p2 harmonic 52.51 118.05 # SOURCE3 7 3.0564
angle_coeff @angle:hn-n-p3 harmonic 50.93 119.63 # SOURCE3 2 0.0000
angle_coeff @angle:hn-n-p4 harmonic 53.00 115.71 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-p5 harmonic 54.50 113.20 # SOURCE4 6 1.0341
angle_coeff @angle:hn-n-s4 harmonic 41.18 112.46 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-s harmonic 41.14 114.92 # SOURCE3 2 0.0260
angle_coeff @angle:hn-n-s6 harmonic 43.06 112.18 # SOURCE4 6 0.6101
angle_coeff @angle:hn-n-sh harmonic 42.19 114.91 # SOURCE3 1 0.0000
angle_coeff @angle:hn-n-ss harmonic 42.36 115.60 # SOURCE3 3 0.6414
angle_coeff @angle:hn-n-sy harmonic 43.02 112.34 # SOURCE4 38 0.6039
angle_coeff @angle:oh-nh-oh harmonic 72.15 106.27 # SOURCE3 1
angle_coeff @angle:o-nh-o harmonic 72.24 128.06 # SOURCE3 1
angle_coeff @angle:os-nh-os harmonic 72.41 105.27 # SOURCE3 1
angle_coeff @angle:p2-nh-p2 harmonic 98.07 127.33 # SOURCE3 2 2.7857
angle_coeff @angle:p3-nh-p3 harmonic 96.03 125.08 # SOURCE3 1
angle_coeff @angle:p5-nh-p5 harmonic 104.72 112.76 # SOURCE3 1
angle_coeff @angle:s4-nh-s4 harmonic 62.56 112.39 # SOURCE3 1
angle_coeff @angle:s6-nh-s6 harmonic 62.35 120.27 # SOURCE3 1
angle_coeff @angle:sh-nh-sh harmonic 62.26 119.00 # SOURCE3 1
angle_coeff @angle:s-nh-s harmonic 59.67 118.73 # SOURCE3 1 0.0000
angle_coeff @angle:ss-nh-ss harmonic 62.19 119.25 # SOURCE3 1
angle_coeff @angle:i-n-i harmonic 60.66 118.20 # SOURCE3 1 0.0000
angle_coeff @angle:n2-n-n2 harmonic 70.16 116.89 # SOURCE3 1 0.0000
angle_coeff @angle:n3-n-n3 harmonic 68.02 117.94 # SOURCE3 1 0.0000
angle_coeff @angle:n4-n-n4 harmonic 68.42 112.69 # SOURCE3 1 0.0000
angle_coeff @angle:na-n-na harmonic 69.61 117.38 # SOURCE3 1 0.0000
angle_coeff @angle:nc-n-nc harmonic 71.04 116.41 # CORR 2
angle_coeff @angle:nc-n-p2 harmonic 80.69 117.21 # CORR 2
angle_coeff @angle:nc-n-pc harmonic 80.42 117.21 # CORR 2
angle_coeff @angle:nd-n-nd harmonic 71.04 116.41 # CORR 2
angle_coeff @angle:nd-n-p2 harmonic 80.69 117.21 # CORR 2
angle_coeff @angle:nd-n-pd harmonic 80.42 117.21 # CORR 2
angle_coeff @angle:nh-n-nh harmonic 69.10 115.18 # SOURCE3 1 0.0000
angle_coeff @angle:n-n-n harmonic 69.89 114.62 # SOURCE3 1 0.0000
angle_coeff @angle:no-n-no harmonic 68.52 108.66 # SOURCE3 1 0.0000
angle_coeff @angle:br-no-o harmonic 58.48 113.19 # SOURCE3 2 0.0000
angle_coeff @angle:c1-no-o harmonic 71.34 116.63 # SOURCE3 6 0.0000
angle_coeff @angle:c2-no-o harmonic 69.87 116.87 # SOURCE3 8 0.4200
angle_coeff @angle:c3-no-o harmonic 66.96 116.56 # SOURCE3 6 0.3959
angle_coeff @angle:ca-no-o harmonic 68.74 118.10 # SOURCE3 10 1.1524
angle_coeff @angle:cc-no-o harmonic 70.34 117.52 # SOURCE4 198 0.6255
angle_coeff @angle:cl-no-o harmonic 57.30 115.08 # SOURCE3 2 0.0000
angle_coeff @angle:c-no-o harmonic 67.10 115.26 # SOURCE3 1
angle_coeff @angle:hn-no-o harmonic 55.31 115.49 # SOURCE3 2 0.0000
angle_coeff @angle:oh-n-oh harmonic 72.05 107.26 # SOURCE3 1 0.0000
angle_coeff @angle:i-no-o harmonic 54.60 116.31 # SOURCE3 2 0.0000
angle_coeff @angle:n1-no-o harmonic 73.78 115.00 # HF/6-31G* 1
angle_coeff @angle:n2-no-o harmonic 65.79 115.10 # SOURCE2 2 2.4000
angle_coeff @angle:n3-no-o harmonic 72.01 115.56 # SOURCE3 6 0.6427
angle_coeff @angle:n4-no-o harmonic 72.87 109.00 # SOURCE3 2 0.0000
angle_coeff @angle:na-no-o harmonic 72.24 115.49 # SOURCE3 18 0.5640
angle_coeff @angle:nh-no-o harmonic 74.08 115.71 # SOURCE3 8 0.4811
angle_coeff @angle:n-no-o harmonic 71.67 115.41 # SOURCE3 8 0.3748
angle_coeff @angle:no-no-o harmonic 59.92 112.38 # SOURCE3 4 0.0000
angle_coeff @angle:o-n-o harmonic 73.39 128.61 # SOURCE3 3 1.0626
angle_coeff @angle:o-no-o harmonic 77.15 125.13 # SOURCE4 461 0.7605
angle_coeff @angle:o-no-oh harmonic 74.09 114.70 # SOURCE3 2 0.0000
angle_coeff @angle:o-no-os harmonic 73.71 114.01 # SOURCE3 8 0.9778
angle_coeff @angle:o-no-p2 harmonic 82.07 117.38 # SOURCE3 20 0.8083
angle_coeff @angle:o-no-p3 harmonic 77.73 116.78 # SOURCE3 6 0.4929
angle_coeff @angle:o-no-p4 harmonic 76.69 116.64 # SOURCE3 6 0.0089
angle_coeff @angle:o-no-p5 harmonic 78.18 116.69 # SOURCE3 8 0.4507
angle_coeff @angle:o-no-s4 harmonic 57.15 114.49 # SOURCE3 6 0.5674
angle_coeff @angle:o-no-s6 harmonic 57.79 114.39 # SOURCE3 6 0.8311
angle_coeff @angle:o-no-s harmonic 64.05 119.81 # SOURCE3 4 0.0042
angle_coeff @angle:o-no-sh harmonic 62.94 116.10 # SOURCE3 2 0.0000
angle_coeff @angle:o-no-ss harmonic 62.27 115.58 # SOURCE3 6 0.5860
angle_coeff @angle:os-n-os harmonic 72.28 106.53 # SOURCE3 1 0.0000
angle_coeff @angle:p2-n-p2 harmonic 98.03 119.62 # SOURCE3 1
angle_coeff @angle:p3-n-p3 harmonic 100.67 108.73 # SOURCE3 3 0.2591
angle_coeff @angle:p4-n-p4 harmonic 102.85 108.55 # SOURCE3 1
angle_coeff @angle:p5-n-p5 harmonic 108.79 99.99 # SOURCE3 1
angle_coeff @angle:pc-n-pc harmonic 97.64 119.62 # SOURCE3 1 0.0000
angle_coeff @angle:pd-n-pd harmonic 97.64 119.62 # SOURCE3 1 same_as_pc-n-pc
angle_coeff @angle:s4-n-s4 harmonic 61.03 113.75 # SOURCE3 1 0.0000
angle_coeff @angle:s6-n-s6 harmonic 61.82 119.68 # SOURCE3 1 0.0000
angle_coeff @angle:sh-n-sh harmonic 61.53 119.03 # SOURCE3 1 0.0000
angle_coeff @angle:s-n-s harmonic 58.48 126.00 # SOURCE3 1
angle_coeff @angle:ss-n-ss harmonic 62.06 118.49 # SOURCE3 1 0.0000
angle_coeff @angle:br-oh-ho harmonic 42.15 101.60 # SOURCE3 1 0.0000
angle_coeff @angle:c1-oh-ho harmonic 50.20 108.76 # SOURCE3 1 0.0000
angle_coeff @angle:c2-oh-ho harmonic 49.91 108.98 # SOURCE3 6 2.2379
angle_coeff @angle:c3-oh-ho harmonic 47.09 108.16 # SOURCE3 42 1.3034
angle_coeff @angle:ca-oh-ho harmonic 48.85 109.47 # SOURCE3 7 1.0405
angle_coeff @angle:cc-oh-ho harmonic 49.96 107.06 # CORR 117
angle_coeff @angle:cd-oh-ho harmonic 49.96 107.06 # CORR 117
angle_coeff @angle:ce-oh-ho harmonic 49.85 106.95 # CORR 34
angle_coeff @angle:cf-oh-ho harmonic 49.85 106.95 # CORR 34
angle_coeff @angle:c-oh-ho harmonic 51.19 107.37 # SOURCE3 34 1.6830
angle_coeff @angle:cl-oh-ho harmonic 40.51 102.40 # SOURCE2 1 0.0000
angle_coeff @angle:cx-oh-ho harmonic 49.64 106.17 # SOURCE3 3 0.0644
angle_coeff @angle:cy-oh-ho harmonic 47.62 107.32 # SOURCE4 5 0.4955
angle_coeff @angle:f-oh-ho harmonic 48.47 96.80 # SOURCE2 1 0.0000
angle_coeff @angle:ho-oh-ho harmonic 41.93 104.80 # SOURCE2 1 0.0000
angle_coeff @angle:ho-oh-i harmonic 35.67 107.98 # SOURCE3 2 0.0000
angle_coeff @angle:ho-oh-n1 harmonic 52.55 107.81 # HF/6-31G* 1
angle_coeff @angle:ho-oh-n2 harmonic 50.57 102.74 # SOURCE3 9 2.1286
angle_coeff @angle:ho-oh-n3 harmonic 50.61 102.33 # SOURCE3 5 1.2591
angle_coeff @angle:ho-oh-n4 harmonic 49.44 106.63 # SOURCE3 3 0.2770
angle_coeff @angle:ho-oh-n harmonic 50.46 101.03 # SOURCE3 6 1.4086
angle_coeff @angle:ho-oh-na harmonic 50.24 103.71 # SOURCE3 9 1.2590
angle_coeff @angle:ho-oh-nh harmonic 49.97 102.42 # SOURCE4 15 0.6819
angle_coeff @angle:ho-oh-no harmonic 50.31 102.17 # SOURCE3 1 0.0000
angle_coeff @angle:ho-oh-o harmonic 47.26 100.87 # SOURCE3 1
angle_coeff @angle:ho-oh-oh harmonic 49.34 98.72 # SOURCE3 2 0.0000
angle_coeff @angle:ho-oh-os harmonic 49.58 99.69 # SOURCE4 18 0.3384
angle_coeff @angle:ho-oh-p2 harmonic 55.87 109.45 # SOURCE3 8 3.3491
angle_coeff @angle:ho-oh-p3 harmonic 53.84 110.64 # SOURCE3 3 0.5191
angle_coeff @angle:ho-oh-p4 harmonic 55.27 110.19 # SOURCE3 4 0.2372
angle_coeff @angle:ho-oh-p5 harmonic 55.88 110.14 # SOURCE3 92 3.8033
angle_coeff @angle:ho-oh-py harmonic 56.18 110.73 # SOURCE3 79 1.7835
angle_coeff @angle:ho-oh-s4 harmonic 42.77 106.76 # SOURCE4 9 0.4035
angle_coeff @angle:ho-oh-s harmonic 40.86 100.15 # SOURCE3 2 0.0000
angle_coeff @angle:ho-oh-s6 harmonic 45.46 109.20 # SOURCE3 13 0.1856
angle_coeff @angle:ho-oh-sh harmonic 42.97 106.24 # SOURCE3 2 0.0661
angle_coeff @angle:ho-oh-ss harmonic 43.10 107.06 # SOURCE3 4 0.9967
angle_coeff @angle:ho-oh-sy harmonic 44.20 106.41 # SOURCE4 33 0.3729
angle_coeff @angle:br-os-br harmonic 65.08 110.63 # SOURCE3 1 0.0000
angle_coeff @angle:c1-os-c1 harmonic 66.99 115.02 # SOURCE3 1 0.0000
angle_coeff @angle:c1-os-c3 harmonic 64.47 113.39 # SOURCE3 1 0.0000
angle_coeff @angle:c2-os-c2 harmonic 65.95 113.14 # SOURCE3 6 2.1932
angle_coeff @angle:c2-os-c3 harmonic 64.21 112.09 # SOURCE3 7 4.1809
angle_coeff @angle:c2-os-ca harmonic 65.43 113.59 # SOURCE3 1 0.0000
angle_coeff @angle:c2-os-n2 harmonic 64.91 118.13 # SOURCE3 1 0.0000
angle_coeff @angle:c2-os-na harmonic 68.21 103.85 # SOURCE3 4 0.6297
angle_coeff @angle:c2-os-os harmonic 68.35 102.77 # SOURCE3 1 0.0000
angle_coeff @angle:c2-os-p5 harmonic 77.31 126.37 # SOURCE4 7 1.7939
angle_coeff @angle:c2-os-ss harmonic 63.08 108.13 # SOURCE3 1 0.0000
angle_coeff @angle:c3-os-c3 harmonic 62.39 112.45 # SOURCE4 1293 1.6468
angle_coeff @angle:c3-os-ca harmonic 62.27 117.97 # SOURCE4 2495 1.4576
angle_coeff @angle:c3-os-cc harmonic 62.50 117.33 # CORR 248
angle_coeff @angle:c3-os-cd harmonic 62.50 117.33 # CORR 248
angle_coeff @angle:c3-os-ce harmonic 62.79 116.05 # CORR 37
angle_coeff @angle:c3-os-cf harmonic 62.79 116.05 # CORR 37
angle_coeff @angle:c3-os-cl harmonic 56.20 110.50 # SOURCE2 1 0.0000
angle_coeff @angle:c3-os-cy harmonic 61.67 115.65 # SOURCE4 5 0.2390
angle_coeff @angle:c3-os-i harmonic 54.88 113.70 # SOURCE3 1 0.0000
angle_coeff @angle:c3-os-n1 harmonic 66.31 113.50 # HF/6-31G* 1
angle_coeff @angle:c3-os-n2 harmonic 65.92 108.12 # SOURCE3 7 0.3048
angle_coeff @angle:c3-os-n3 harmonic 64.52 110.28 # SOURCE4 14 1.9026
angle_coeff @angle:c3-os-n4 harmonic 64.88 110.50 # SOURCE3 3 0.5426
angle_coeff @angle:c3-os-n harmonic 65.40 109.52 # SOURCE4 14 0.6827
angle_coeff @angle:c3-os-na harmonic 64.54 109.91 # SOURCE3 9 1.8268
angle_coeff @angle:c3-os-nc harmonic 64.80 112.73 # SOURCE3 2 1.0358
angle_coeff @angle:c3-os-nd harmonic 64.80 112.73 # SOURCE3 2 same_as_c3-os-nc
angle_coeff @angle:c3-os-nh harmonic 65.22 109.69 # SOURCE4 8 0.1662
angle_coeff @angle:c3-os-no harmonic 63.89 113.80 # SOURCE4 42 0.2726
angle_coeff @angle:c3-os-o harmonic 65.62 103.00 # SOURCE3 1 0.0000
angle_coeff @angle:c3-os-oh harmonic 65.24 107.97 # SOURCE4 11 0.4333
angle_coeff @angle:c3-os-os harmonic 65.89 105.01 # SOURCE3 7 0.6328
angle_coeff @angle:c3-os-p2 harmonic 80.24 115.47 # SOURCE3 8 2.6374
angle_coeff @angle:c3-os-p3 harmonic 76.51 115.97 # SOURCE3 3 0.3597
angle_coeff @angle:c3-os-p4 harmonic 77.59 117.48 # SOURCE3 4 0.3850
angle_coeff @angle:c3-os-p5 harmonic 78.48 118.00 # SOURCE3 31 1.2882
angle_coeff @angle:c3-os-py harmonic 78.07 117.80 # SOURCE3 16 0.9654
angle_coeff @angle:c3-os-s4 harmonic 61.32 111.50 # SOURCE3 6 1.4240
angle_coeff @angle:c3-os-s6 harmonic 63.21 115.79 # SOURCE4 60 1.2588
angle_coeff @angle:c3-os-s harmonic 59.28 109.55 # SOURCE3 1 0.0000
angle_coeff @angle:c3-os-sh harmonic 61.67 112.82 # SOURCE3 1 0.0000
angle_coeff @angle:c3-os-ss harmonic 60.74 113.19 # SOURCE3 3 0.2455
angle_coeff @angle:ca-os-ca harmonic 63.31 119.95 # SOURCE4 107 1.6535
angle_coeff @angle:ca-os-cc harmonic 67.21 106.65 # CORR 62
angle_coeff @angle:ca-os-cd harmonic 67.21 106.65 # CORR 62
angle_coeff @angle:ca-os-n3 harmonic 65.39 112.19 # SOURCE3 1 0.0000
angle_coeff @angle:ca-os-na harmonic 66.47 108.24 # SOURCE3 1 0.0000
angle_coeff @angle:ca-os-nc harmonic 66.09 113.68 # SOURCE3 2
angle_coeff @angle:ca-os-nd harmonic 66.09 113.68 # SOURCE3 2
angle_coeff @angle:ca-os-p5 harmonic 77.96 123.42 # SOURCE4 54 1.1358
angle_coeff @angle:ca-os-s6 harmonic 63.95 116.97 # SOURCE4 15 0.9514
angle_coeff @angle:c-os-c2 harmonic 64.91 118.02 # SOURCE4 7 0.3666
angle_coeff @angle:c-os-c3 harmonic 63.63 115.14 # SOURCE3 17 1.8967
angle_coeff @angle:c-os-c harmonic 64.54 120.64 # SOURCE4 7 1.5114
angle_coeff @angle:c-os-ca harmonic 63.75 120.87 # SOURCE4 257 1.7209
angle_coeff @angle:c-os-cc harmonic 64.15 119.62 # SOURCE3 5 6.0675
angle_coeff @angle:cc-os-cc harmonic 67.27 106.69 # CORR 252
angle_coeff @angle:cc-os-cd harmonic 63.80 118.62 # SOURCE4 14 1.9764
angle_coeff @angle:c-os-cd harmonic 64.15 119.62 # SOURCE3 5 6.0675
angle_coeff @angle:cc-os-na harmonic 65.51 111.66 # SOURCE3 28 4.1343
angle_coeff @angle:cc-os-nc harmonic 68.12 107.23 # SOURCE3 6 2.7507
angle_coeff @angle:cc-os-os harmonic 66.27 108.47 # SOURCE3 2 0.0000
angle_coeff @angle:cc-os-ss harmonic 59.85 119.59 # SOURCE3 1 0.0000
angle_coeff @angle:c-os-cy harmonic 71.75 91.10 # SOURCE3 2 0.0155
angle_coeff @angle:cd-os-cd harmonic 67.27 106.69 # CORR 252
angle_coeff @angle:cd-os-na harmonic 65.51 111.66 # SOURCE3 28 4.1343
angle_coeff @angle:cd-os-nd harmonic 68.12 107.23 # SOURCE3 6 2.7507
angle_coeff @angle:cd-os-os harmonic 66.27 108.47 # SOURCE3 2 same_as_cc-os-os
angle_coeff @angle:cd-os-ss harmonic 59.85 119.59 # SOURCE3 1 same_as_cc-os-ss
angle_coeff @angle:cl-os-cl harmonic 52.29 110.76 # SOURCE3 2 0.0000
angle_coeff @angle:c-os-n2 harmonic 66.95 112.08 # SOURCE4 6 0.1154
angle_coeff @angle:c-os-n harmonic 66.83 112.10 # SOURCE4 6 0.6163
angle_coeff @angle:c-os-oh harmonic 66.50 110.50 # SOURCE3 1 0.0000
angle_coeff @angle:c-os-os harmonic 66.25 110.28 # SOURCE4 10 1.3612
angle_coeff @angle:c-os-p5 harmonic 78.89 122.10 # SOURCE4 5 0.5870
angle_coeff @angle:c-os-sy harmonic 61.85 113.49 # SOURCE3 1 0.0000
angle_coeff @angle:cx-os-cx harmonic 85.27 61.82 # SOURCE4 107 0.1793
angle_coeff @angle:cx-os-n harmonic 88.98 59.99 # SOURCE3 1 0.0000
angle_coeff @angle:cx-os-os harmonic 90.38 56.52 # SOURCE3 2 0.0000
angle_coeff @angle:cy-os-cy harmonic 68.81 93.40 # SOURCE2 2 1.4000
angle_coeff @angle:f-os-f harmonic 63.94 103.30 # SOURCE2 1 0.0000
angle_coeff @angle:f-os-os harmonic 63.94 109.50 # SOURCE2 1 0.0000
angle_coeff @angle:i-os-i harmonic 58.06 115.67 # SOURCE3 1 0.0000
angle_coeff @angle:n1-os-n1 harmonic 70.28 117.79 # HF/6-31G* 1
angle_coeff @angle:n2-os-n2 harmonic 68.76 106.83 # SOURCE3 1 0.0000
angle_coeff @angle:n2-os-s6 harmonic 66.63 111.30 # SOURCE4 7 0.5651
angle_coeff @angle:n3-os-n3 harmonic 67.76 104.88 # SOURCE3 1 0.0000
angle_coeff @angle:n4-os-n4 harmonic 65.66 114.68 # SOURCE3 1 0.0000
angle_coeff @angle:na-os-na harmonic 66.10 109.59 # SOURCE3 1 0.0000
angle_coeff @angle:na-os-ss harmonic 64.75 104.34 # SOURCE3 1 0.0000
angle_coeff @angle:nc-os-nc harmonic 68.17 110.40 # SOURCE2 1 0.0000
angle_coeff @angle:nc-os-ss harmonic 63.38 110.97 # SOURCE3 1 0.0000
angle_coeff @angle:nd-os-nd harmonic 68.17 110.40 # SOURCE2 1 same_as_nc-os-nc
angle_coeff @angle:nd-os-ss harmonic 63.38 110.97 # SOURCE3 1 same_as_nc-os-ss
angle_coeff @angle:nh-os-nh harmonic 67.81 108.29 # SOURCE3 1 0.0000
angle_coeff @angle:n-os-n harmonic 68.08 108.31 # SOURCE3 1 0.0000
angle_coeff @angle:no-os-no harmonic 66.40 111.86 # SOURCE3 1 0.0000
angle_coeff @angle:n-os-s6 harmonic 65.87 113.62 # SOURCE4 5 0.0928
angle_coeff @angle:o-os-o harmonic 62.76 114.68 # SOURCE3 1 0.0000
angle_coeff @angle:p2-os-p2 harmonic 103.59 120.02 # SOURCE3 1 0.0000
angle_coeff @angle:p2-os-p5 harmonic 108.26 107.86 # SOURCE3 1 0.0000
angle_coeff @angle:p3-os-p3 harmonic 96.17 121.22 # SOURCE3 1 0.0000
angle_coeff @angle:p3-os-py harmonic 105.11 105.58 # SOURCE3 1 0.0000
angle_coeff @angle:p5-os-p5 harmonic 99.18 126.25 # SOURCE3 1 0.0000
angle_coeff @angle:s4-os-s4 harmonic 62.09 111.63 # SOURCE3 1 0.0000
angle_coeff @angle:s6-os-s6 harmonic 64.77 119.07 # SOURCE3 2 0.4318
angle_coeff @angle:sh-os-sh harmonic 61.15 118.95 # SOURCE3 1 0.0000
angle_coeff @angle:s-os-s harmonic 56.98 118.08 # SOURCE3 1 0.0000
angle_coeff @angle:ss-os-ss harmonic 60.82 115.64 # SOURCE3 1 0.0000
angle_coeff @angle:br-p2-br harmonic 40.68 108.60 # SOURCE3 1
angle_coeff @angle:br-p2-c2 harmonic 39.43 102.32 # SOURCE3 2 0.0146
angle_coeff @angle:br-p2-n2 harmonic 40.42 103.33 # SOURCE3 1 0.0000
angle_coeff @angle:br-p2-o harmonic 39.43 110.87 # SOURCE3 1 0.0000
angle_coeff @angle:br-p2-p2 harmonic 50.16 115.46 # SOURCE3 4 7.8622
angle_coeff @angle:br-p2-s harmonic 40.59 110.52 # SOURCE3 1 0.0000
angle_coeff @angle:c1-p2-c1 harmonic 39.20 99.04 # SOURCE3 1
angle_coeff @angle:c1-p2-c2 harmonic 39.82 101.29 # SOURCE3 1
angle_coeff @angle:c1-p2-n2 harmonic 41.36 101.79 # SOURCE3 1
angle_coeff @angle:c1-p2-o harmonic 41.32 107.62 # SOURCE3 1
angle_coeff @angle:c1-p2-p2 harmonic 53.31 99.54 # SOURCE3 1
angle_coeff @angle:c1-p2-s harmonic 41.00 105.90 # SOURCE3 1
angle_coeff @angle:c2-p2-c2 harmonic 40.45 104.50 # SOURCE3 1
angle_coeff @angle:c2-p2-c3 harmonic 38.60 101.90 # SOURCE3 4 0.1132
angle_coeff @angle:c2-p2-ca harmonic 38.79 101.95 # SOURCE3 1
angle_coeff @angle:c2-p2-cl harmonic 35.61 102.72 # SOURCE3 2 0.0000
angle_coeff @angle:c2-p2-f harmonic 41.60 103.47 # SOURCE3 2 0.0136
angle_coeff @angle:c2-p2-hp harmonic 30.13 97.19 # SOURCE3 3 0.0216
angle_coeff @angle:c2-p2-i harmonic 33.85 101.94 # SOURCE3 2 0.0368
angle_coeff @angle:c2-p2-n2 harmonic 43.20 99.88 # SOURCE3 1
angle_coeff @angle:c2-p2-n3 harmonic 41.99 101.80 # SOURCE3 1
angle_coeff @angle:c2-p2-n4 harmonic 39.07 98.26 # SOURCE3 6 0.1522
angle_coeff @angle:c2-p2-n harmonic 40.89 103.28 # SOURCE3 4 3.3113
angle_coeff @angle:c2-p2-na harmonic 40.54 103.99 # SOURCE3 8 1.6834
angle_coeff @angle:c2-p2-nh harmonic 41.20 105.17 # SOURCE3 8 0.8263
angle_coeff @angle:c2-p2-no harmonic 41.91 97.97 # SOURCE3 3 0.4175
angle_coeff @angle:c2-p2-o harmonic 41.51 115.16 # SOURCE3 1
angle_coeff @angle:c2-p2-oh harmonic 42.50 102.89 # SOURCE3 3 0.8191
angle_coeff @angle:c2-p2-os harmonic 43.35 102.12 # SOURCE3 4 0.8783
angle_coeff @angle:c2-p2-p2 harmonic 54.72 99.56 # SOURCE3 1
angle_coeff @angle:c2-p2-p3 harmonic 48.11 99.27 # SOURCE3 4 1.1590
angle_coeff @angle:c2-p2-p4 harmonic 48.19 96.94 # SOURCE3 1
angle_coeff @angle:c2-p2-p5 harmonic 48.01 97.61 # SOURCE3 1
angle_coeff @angle:c2-p2-s4 harmonic 38.27 95.15 # SOURCE3 1
angle_coeff @angle:c2-p2-s6 harmonic 38.35 95.51 # SOURCE3 1
angle_coeff @angle:c2-p2-s harmonic 42.19 105.53 # SOURCE3 1
angle_coeff @angle:c2-p2-sh harmonic 40.19 101.49 # SOURCE3 3 0.0057
angle_coeff @angle:c2-p2-ss harmonic 40.19 101.81 # SOURCE3 4 0.5883
angle_coeff @angle:c3-p2-c3 harmonic 37.36 99.30 # SOURCE3 1
angle_coeff @angle:c3-p2-n2 harmonic 40.30 100.82 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p2-o harmonic 40.10 106.72 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p2-os harmonic 40.68 101.34 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p2-p2 harmonic 51.78 100.48 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p2-s harmonic 40.04 105.68 # SOURCE3 1 0.0000
angle_coeff @angle:ca-p2-ca harmonic 37.59 99.70 # SOURCE3 1
angle_coeff @angle:ca-p2-n2 harmonic 40.53 100.82 # SOURCE3 1
angle_coeff @angle:ca-p2-n harmonic 41.68 89.97 # SOURCE3 1
angle_coeff @angle:ca-p2-na harmonic 41.69 89.21 # SOURCE3 1
angle_coeff @angle:ca-p2-o harmonic 40.31 106.88 # SOURCE3 1
angle_coeff @angle:ca-p2-s harmonic 39.79 107.93 # SOURCE3 1
angle_coeff @angle:c-p2-c2 harmonic 38.89 97.30 # SOURCE3 1
angle_coeff @angle:c-p2-c harmonic 38.29 90.10 # SOURCE3 1
angle_coeff @angle:ce-p2-o harmonic 40.63 107.44 # SOURCE3 1
angle_coeff @angle:ce-p2-s harmonic 40.55 105.54 # SOURCE3 1
angle_coeff @angle:cf-p2-o harmonic 40.63 107.44 # SOURCE3 1 same_as_ce-p2-o
angle_coeff @angle:cf-p2-s harmonic 40.55 105.54 # SOURCE3 1 same_as_ce-p2-s
angle_coeff @angle:cl-p2-cl harmonic 32.00 108.70 # SOURCE3 1
angle_coeff @angle:cl-p2-n2 harmonic 36.67 103.38 # SOURCE3 1 0.0000
angle_coeff @angle:cl-p2-o harmonic 36.00 110.57 # SOURCE3 1 0.0000
angle_coeff @angle:cl-p2-p2 harmonic 47.78 103.11 # SOURCE3 1 0.0000
angle_coeff @angle:cl-p2-s harmonic 36.62 110.11 # SOURCE3 1 0.0000
angle_coeff @angle:f-p2-f harmonic 42.20 107.10 # SOURCE3 1
angle_coeff @angle:f-p2-n2 harmonic 43.59 103.57 # SOURCE3 1 0.0000
angle_coeff @angle:f-p2-o harmonic 43.81 110.61 # SOURCE3 1 0.0000
angle_coeff @angle:f-p2-p2 harmonic 54.54 103.48 # SOURCE3 1 0.0000
angle_coeff @angle:f-p2-s harmonic 41.15 114.71 # SOURCE3 2 5.2794
angle_coeff @angle:hp-p2-hp harmonic 22.84 98.76 # SOURCE3 1
angle_coeff @angle:hp-p2-n1 harmonic 31.08 95.18 # SOURCE3 2 1.5708
angle_coeff @angle:hp-p2-n2 harmonic 32.08 95.54 # SOURCE3 19 4.7352
angle_coeff @angle:hp-p2-ne harmonic 31.94 100.10 # SOURCE3 14 6.1290
angle_coeff @angle:hp-p2-nf harmonic 31.94 100.10 # SOURCE3 14 same_as_hp-p2-ne
angle_coeff @angle:hp-p2-o harmonic 32.04 105.58 # SOURCE3 1 0.0000
angle_coeff @angle:hp-p2-p2 harmonic 38.16 101.88 # SOURCE3 27 12.9535
angle_coeff @angle:hp-p2-p4 harmonic 32.69 94.51 # SOURCE3 1 0.0000
angle_coeff @angle:hp-p2-p5 harmonic 33.66 89.07 # SOURCE3 1 0.0000
angle_coeff @angle:hp-p2-pe harmonic 37.56 97.25 # SOURCE3 16 8.8916
angle_coeff @angle:hp-p2-pf harmonic 37.56 97.25 # SOURCE3 16 same_as_hp-p2-pe
angle_coeff @angle:hp-p2-s4 harmonic 26.33 89.99 # SOURCE3 1 0.0000
angle_coeff @angle:hp-p2-s harmonic 30.26 102.52 # SOURCE3 1 0.0000
angle_coeff @angle:hp-p2-s6 harmonic 26.74 88.13 # SOURCE3 1 0.0000
angle_coeff @angle:i-p2-i harmonic 35.75 104.16 # SOURCE3 1
angle_coeff @angle:i-p2-n2 harmonic 34.63 101.77 # SOURCE3 1 0.0000
angle_coeff @angle:i-p2-o harmonic 33.34 109.51 # SOURCE3 1 0.0000
angle_coeff @angle:i-p2-p2 harmonic 46.22 102.63 # SOURCE3 1 0.0000
angle_coeff @angle:i-p2-s harmonic 35.18 110.60 # SOURCE3 1 0.0000
angle_coeff @angle:n1-p2-n1 harmonic 46.52 86.22 # HF/6-31G* 1
angle_coeff @angle:n2-p2-n2 harmonic 45.62 98.00 # SOURCE3 1
angle_coeff @angle:n2-p2-n3 harmonic 44.14 100.42 # SOURCE3 1
angle_coeff @angle:n2-p2-n4 harmonic 41.53 93.42 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-na harmonic 42.63 102.03 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-nh harmonic 43.69 101.87 # SOURCE3 2 0.8491
angle_coeff @angle:n2-p2-no harmonic 43.64 98.12 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-o harmonic 43.53 115.34 # SOURCE3 1
angle_coeff @angle:n2-p2-oh harmonic 43.02 109.72 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-os harmonic 45.35 102.29 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-p3 harmonic 49.55 99.51 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-p4 harmonic 48.48 101.73 # SOURCE3 1
angle_coeff @angle:n2-p2-p5 harmonic 50.50 93.68 # SOURCE3 1
angle_coeff @angle:n2-p2-s4 harmonic 38.89 97.83 # SOURCE3 1
angle_coeff @angle:n2-p2-s6 harmonic 38.99 98.14 # SOURCE3 1
angle_coeff @angle:n2-p2-s harmonic 42.45 112.94 # SOURCE3 1
angle_coeff @angle:n2-p2-sh harmonic 41.75 100.82 # SOURCE3 1 0.0000
angle_coeff @angle:n2-p2-ss harmonic 41.64 101.76 # SOURCE3 1 0.0000
angle_coeff @angle:n3-p2-n3 harmonic 42.10 106.30 # SOURCE3 1
angle_coeff @angle:n3-p2-o harmonic 44.16 106.83 # SOURCE3 1
angle_coeff @angle:n3-p2-p2 harmonic 55.78 100.58 # SOURCE3 1
angle_coeff @angle:n3-p2-s harmonic 43.18 105.75 # SOURCE3 1
angle_coeff @angle:n4-p2-n4 harmonic 39.61 88.80 # SOURCE3 1
angle_coeff @angle:n4-p2-o harmonic 40.67 101.36 # SOURCE3 1 0.0000
angle_coeff @angle:n4-p2-p2 harmonic 52.72 96.53 # SOURCE3 1 0.0000
angle_coeff @angle:n4-p2-s harmonic 40.06 104.98 # SOURCE3 1 0.0000
angle_coeff @angle:na-p2-na harmonic 40.23 106.10 # SOURCE3 1
angle_coeff @angle:na-p2-o harmonic 42.71 107.46 # SOURCE3 1 0.0000
angle_coeff @angle:na-p2-s harmonic 41.81 108.15 # SOURCE3 1 0.0000
angle_coeff @angle:ne-p2-o harmonic 45.72 107.71 # SOURCE3 1
angle_coeff @angle:ne-p2-s harmonic 44.34 105.50 # SOURCE3 1
angle_coeff @angle:nf-p2-o harmonic 45.72 107.71 # SOURCE3 1 same_as_ne-p2-o
angle_coeff @angle:nf-p2-s harmonic 44.34 105.50 # SOURCE3 1 same_as_ne-p2-s
angle_coeff @angle:nh-p2-nh harmonic 42.33 104.00 # SOURCE3 1
angle_coeff @angle:nh-p2-o harmonic 43.75 108.11 # SOURCE3 2 0.6773
angle_coeff @angle:nh-p2-p2 harmonic 53.77 107.73 # SOURCE3 3 3.1678
angle_coeff @angle:nh-p2-s harmonic 42.31 109.62 # SOURCE3 2 1.7725
angle_coeff @angle:n-p2-n2 harmonic 43.55 98.85 # SOURCE3 1 0.0000
angle_coeff @angle:n-p2-o harmonic 43.46 105.08 # SOURCE3 1 0.0000
angle_coeff @angle:no-p2-no harmonic 42.08 98.20 # SOURCE3 1
angle_coeff @angle:no-p2-o harmonic 43.42 104.87 # SOURCE3 1 0.0000
angle_coeff @angle:no-p2-p2 harmonic 52.75 108.57 # SOURCE3 3 8.2121
angle_coeff @angle:no-p2-s harmonic 41.76 109.06 # SOURCE3 2 5.4074
angle_coeff @angle:n-p2-p2 harmonic 54.46 102.12 # SOURCE3 1 0.0000
angle_coeff @angle:n-p2-s harmonic 41.20 112.34 # SOURCE3 1 0.0000
angle_coeff @angle:oh-p2-oh harmonic 44.96 100.10 # SOURCE3 1
angle_coeff @angle:oh-p2-p2 harmonic 54.71 107.82 # SOURCE3 2 2.6708
angle_coeff @angle:oh-p2-s harmonic 43.05 109.75 # SOURCE3 1 0.0000
angle_coeff @angle:o-p2-o harmonic 44.39 119.96 # SOURCE3 1
angle_coeff @angle:o-p2-oh harmonic 44.33 110.46 # SOURCE3 1 0.0000
angle_coeff @angle:o-p2-os harmonic 45.59 108.81 # SOURCE3 1 0.0000
angle_coeff @angle:o-p2-p2 harmonic 54.57 114.23 # SOURCE3 1
angle_coeff @angle:o-p2-p3 harmonic 48.45 106.69 # SOURCE3 1 0.0000
angle_coeff @angle:o-p2-p4 harmonic 48.42 104.37 # SOURCE3 1
angle_coeff @angle:o-p2-p5 harmonic 48.37 104.49 # SOURCE3 1
angle_coeff @angle:o-p2-pe harmonic 46.73 145.96 # SOURCE3 1
angle_coeff @angle:o-p2-pf harmonic 46.73 145.96 # SOURCE3 1 same_as_o-p2-pe
angle_coeff @angle:o-p2-s4 harmonic 37.68 106.59 # SOURCE3 1
angle_coeff @angle:o-p2-s6 harmonic 38.12 105.04 # SOURCE3 1
angle_coeff @angle:o-p2-s harmonic 42.77 117.42 # SOURCE3 1
angle_coeff @angle:o-p2-sh harmonic 40.81 109.60 # SOURCE3 1 0.0000
angle_coeff @angle:os-p2-os harmonic 47.01 98.30 # SOURCE3 1
angle_coeff @angle:os-p2-p2 harmonic 57.14 101.46 # SOURCE3 1 0.0000
angle_coeff @angle:o-p2-ss harmonic 40.89 109.60 # SOURCE3 1 0.0000
angle_coeff @angle:os-p2-s harmonic 43.89 108.47 # SOURCE3 3 1.7065
angle_coeff @angle:p2-p2-n2 harmonic 57.57 97.40 # SOURCE3 1
angle_coeff @angle:p2-p2-p3 harmonic 64.09 101.73 # SOURCE3 1 0.0000
angle_coeff @angle:p2-p2-p4 harmonic 63.42 101.98 # SOURCE3 1
angle_coeff @angle:p2-p2-p5 harmonic 64.24 99.33 # SOURCE3 1
angle_coeff @angle:p2-p2-s4 harmonic 51.53 95.73 # SOURCE3 1
angle_coeff @angle:p2-p2-s6 harmonic 51.64 95.95 # SOURCE3 1
angle_coeff @angle:p2-p2-s harmonic 54.52 111.28 # SOURCE3 1
angle_coeff @angle:p2-p2-sh harmonic 50.78 113.94 # SOURCE3 3 8.5009
angle_coeff @angle:p3-p2-p3 harmonic 59.88 101.00 # SOURCE3 1
angle_coeff @angle:p3-p2-s harmonic 48.09 113.28 # SOURCE3 2 6.7035
angle_coeff @angle:p4-p2-s harmonic 49.75 103.89 # SOURCE3 1
angle_coeff @angle:p5-p2-p5 harmonic 62.82 89.40 # SOURCE3 1
angle_coeff @angle:p5-p2-s harmonic 50.38 101.21 # SOURCE3 1
angle_coeff @angle:pe-p2-s harmonic 54.45 106.35 # SOURCE3 1
angle_coeff @angle:pf-p2-s harmonic 54.45 106.35 # SOURCE3 1 same_as_pe-p2-s
angle_coeff @angle:s4-p2-s4 harmonic 39.97 85.30 # SOURCE3 1
angle_coeff @angle:s6-p2-s6 harmonic 37.42 98.20 # SOURCE3 1
angle_coeff @angle:sh-p2-sh harmonic 41.33 98.50 # SOURCE3 1
angle_coeff @angle:s-p2-s harmonic 44.19 106.60 # SOURCE3 1
angle_coeff @angle:s-p2-s4 harmonic 38.90 105.29 # SOURCE3 1
angle_coeff @angle:s-p2-s6 harmonic 38.73 106.93 # SOURCE3 1
angle_coeff @angle:s-p2-sh harmonic 40.82 110.73 # SOURCE3 2 0.0232
angle_coeff @angle:s-p2-ss harmonic 40.27 114.14 # SOURCE3 4 5.9223
angle_coeff @angle:ss-p2-ss harmonic 41.56 97.90 # SOURCE3 1
angle_coeff @angle:br-p3-br harmonic 41.27 103.54 # SOURCE3 1 0.0000
angle_coeff @angle:br-p3-hp harmonic 26.94 96.36 # SOURCE3 4 0.6701
angle_coeff @angle:c1-p3-c1 harmonic 38.48 100.50 # SOURCE3 1 0.0000
angle_coeff @angle:c1-p3-f harmonic 40.73 96.90 # SOURCE2 1 0.0000
angle_coeff @angle:c1-p3-hp harmonic 28.14 97.67 # SOURCE3 2 0.0000
angle_coeff @angle:c2-p3-c2 harmonic 37.32 101.77 # SOURCE3 3 0.0000
angle_coeff @angle:c2-p3-hp harmonic 27.57 97.85 # SOURCE3 4 0.0000
angle_coeff @angle:c3-p3-c3 harmonic 37.51 99.66 # SOURCE3 40 0.9854
angle_coeff @angle:c3-p3-ca harmonic 37.29 101.94 # SOURCE3 2 0.0000
angle_coeff @angle:c3-p3-cl harmonic 35.74 99.89 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p3-f harmonic 39.74 97.80 # SOURCE2 1 0.0000
angle_coeff @angle:c3-p3-hp harmonic 27.47 97.66 # SOURCE3 9 0.4096
angle_coeff @angle:c3-p3-n2 harmonic 39.87 96.55 # SOURCE3 2 0.0000
angle_coeff @angle:c3-p3-n3 harmonic 39.28 101.18 # SOURCE3 10 2.2338
angle_coeff @angle:c3-p3-n4 harmonic 38.58 96.94 # SOURCE3 6 0.4815
angle_coeff @angle:c3-p3-n harmonic 38.78 101.77 # SOURCE3 12 2.4449
angle_coeff @angle:c3-p3-na harmonic 39.16 100.17 # SOURCE3 4 0.0554
angle_coeff @angle:c3-p3-nh harmonic 38.65 104.50 # SOURCE3 2 0.0000
angle_coeff @angle:c3-p3-no harmonic 38.96 96.98 # SOURCE3 2 0.0000
angle_coeff @angle:c3-p3-o harmonic 39.33 111.67 # SOURCE3 28 5.3387
angle_coeff @angle:c3-p3-oh harmonic 40.60 98.21 # SOURCE3 2 0.0000
angle_coeff @angle:c3-p3-os harmonic 40.25 99.53 # SOURCE3 3 1.7678
angle_coeff @angle:c3-p3-p3 harmonic 45.77 100.31 # SOURCE3 18 2.1836
angle_coeff @angle:c3-p3-p5 harmonic 45.65 100.90 # SOURCE3 10 2.7070
angle_coeff @angle:c3-p3-s4 harmonic 37.94 98.88 # SOURCE3 8 6.2235
angle_coeff @angle:c3-p3-s6 harmonic 37.62 101.18 # SOURCE3 12 6.4536
angle_coeff @angle:c3-p3-sh harmonic 37.43 98.71 # SOURCE3 2 0.0000
angle_coeff @angle:c3-p3-ss harmonic 37.44 99.37 # SOURCE3 2 0.0000
angle_coeff @angle:ca-p3-ca harmonic 37.89 99.86 # SOURCE3 1 0.0000
angle_coeff @angle:ca-p3-hp harmonic 27.74 97.50 # SOURCE3 2 0.0000
angle_coeff @angle:c-p3-c3 harmonic 37.60 97.06 # SOURCE3 3 1.1490
angle_coeff @angle:c-p3-c harmonic 36.51 100.90 # SOURCE3 1 0.0000
angle_coeff @angle:c-p3-hp harmonic 27.15 96.55 # SOURCE3 6 0.5223
angle_coeff @angle:cl-p3-cl harmonic 33.91 102.82 # SOURCE3 1 0.0000
angle_coeff @angle:cl-p3-f harmonic 37.03 99.20 # SOURCE2 1 0.0000
angle_coeff @angle:cl-p3-hp harmonic 25.67 96.30 # SOURCE3 3 0.6203
angle_coeff @angle:c-p3-os harmonic 43.95 81.32 # SOURCE3 1 0.0000
angle_coeff @angle:cx-p3-hp harmonic 27.54 95.20 # SOURCE2 1 0.0000
angle_coeff @angle:f-p3-f harmonic 43.08 97.40 # SOURCE2 8 1.6636
angle_coeff @angle:f-p3-hp harmonic 30.56 96.41 # SOURCE3 2 0.0000
angle_coeff @angle:f-p3-n3 harmonic 41.86 100.60 # SOURCE2 1 0.0000
angle_coeff @angle:f-p3-os harmonic 42.42 102.20 # SOURCE2 1 0.0000
angle_coeff @angle:f-p3-p3 harmonic 47.13 97.20 # SOURCE2 1 0.0000
angle_coeff @angle:hp-p3-hp harmonic 22.02 95.52 # SOURCE3 44 2.4200
angle_coeff @angle:hp-p3-i harmonic 23.42 96.19 # SOURCE3 4 0.6454
angle_coeff @angle:hp-p3-n1 harmonic 31.27 92.98 # HF/6-31G* 1
angle_coeff @angle:hp-p3-n2 harmonic 29.07 98.28 # SOURCE3 10 1.8860
angle_coeff @angle:hp-p3-n3 harmonic 30.10 94.46 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-n4 harmonic 28.34 93.21 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-n harmonic 29.47 95.15 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-na harmonic 29.25 97.27 # SOURCE3 12 0.9318
angle_coeff @angle:hp-p3-nh harmonic 30.16 94.10 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-no harmonic 28.83 93.06 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-o harmonic 32.01 101.02 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-oh harmonic 30.73 95.95 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-os harmonic 30.39 97.35 # SOURCE3 6 2.8326
angle_coeff @angle:hp-p3-p2 harmonic 32.41 99.11 # SOURCE3 16 4.3022
angle_coeff @angle:hp-p3-p3 harmonic 32.07 95.52 # SOURCE3 4 0.0844
angle_coeff @angle:hp-p3-p4 harmonic 31.97 95.95 # SOURCE3 6 0.0489
angle_coeff @angle:hp-p3-p5 harmonic 32.08 95.54 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-s4 harmonic 26.89 95.49 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-s6 harmonic 27.38 92.95 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-sh harmonic 26.51 94.21 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p3-ss harmonic 26.59 94.61 # SOURCE3 2 0.0000
angle_coeff @angle:i-p3-i harmonic 36.63 105.25 # SOURCE3 1 0.0000
angle_coeff @angle:n1-p3-n1 harmonic 45.91 90.44 # HF/6-31G* 1
angle_coeff @angle:n2-p3-n2 harmonic 40.40 103.46 # SOURCE3 1 0.0000
angle_coeff @angle:n3-p3-n3 harmonic 39.27 113.80 # SOURCE3 1 0.0000
angle_coeff @angle:n3-p3-o harmonic 43.04 107.10 # SOURCE3 4 0.0000
angle_coeff @angle:n3-p3-oh harmonic 43.13 98.36 # SOURCE3 1
angle_coeff @angle:n4-p3-n4 harmonic 38.45 100.53 # SOURCE3 1 0.0000
angle_coeff @angle:na-p3-na harmonic 39.91 106.22 # SOURCE3 1
angle_coeff @angle:nh-p3-nh harmonic 40.11 109.11 # SOURCE3 1 0.0000
angle_coeff @angle:n-p3-n harmonic 40.04 104.58 # SOURCE3 1
angle_coeff @angle:n-p3-o harmonic 42.80 104.99 # SOURCE3 4 0.0000
angle_coeff @angle:no-p3-no harmonic 39.64 98.33 # SOURCE3 1 0.0000
angle_coeff @angle:oh-p3-oh harmonic 42.77 104.48 # SOURCE3 1 0.0000
angle_coeff @angle:o-p3-o harmonic 43.78 122.18 # SOURCE3 2 7.8556
angle_coeff @angle:o-p3-p3 harmonic 45.09 116.74 # SOURCE3 14 0.7525
angle_coeff @angle:o-p3-p5 harmonic 46.98 107.62 # SOURCE3 4 0.0000
angle_coeff @angle:o-p3-s4 harmonic 38.63 110.70 # SOURCE3 4 0.7259
angle_coeff @angle:o-p3-s6 harmonic 39.52 106.66 # SOURCE3 6 3.4017
angle_coeff @angle:os-p3-os harmonic 42.11 106.65 # SOURCE3 1 0.0000
angle_coeff @angle:p2-p3-p2 harmonic 59.12 103.58 # SOURCE3 1 0.0000
angle_coeff @angle:p3-p3-p3 harmonic 57.00 105.31 # SOURCE3 4 3.5864
angle_coeff @angle:p4-p3-p4 harmonic 58.70 99.09 # SOURCE3 1
angle_coeff @angle:p5-p3-p5 harmonic 58.78 99.10 # SOURCE3 1 0.0000
angle_coeff @angle:s4-p3-s4 harmonic 39.08 98.26 # SOURCE3 1 0.0000
angle_coeff @angle:s6-p3-s6 harmonic 39.36 97.78 # SOURCE3 1 0.0000
angle_coeff @angle:sh-p3-sh harmonic 36.56 107.58 # SOURCE3 1 0.0000
angle_coeff @angle:s-p3-s harmonic 34.08 131.32 # SOURCE3 1
angle_coeff @angle:ss-p3-ss harmonic 36.47 109.24 # SOURCE3 1 0.0000
angle_coeff @angle:br-p4-br harmonic 41.07 110.41 # SOURCE3 1
angle_coeff @angle:br-p4-o harmonic 37.80 124.80 # SOURCE3 1
angle_coeff @angle:c2-p4-c2 harmonic 37.13 104.21 # SOURCE3 1
angle_coeff @angle:c2-p4-hp harmonic 27.68 99.50 # SOURCE3 2 0.0000
angle_coeff @angle:c2-p4-o harmonic 39.43 113.59 # SOURCE3 1
angle_coeff @angle:c3-p4-c3 harmonic 37.20 102.55 # SOURCE3 4 0.0192
angle_coeff @angle:c3-p4-n2 harmonic 39.09 103.17 # SOURCE3 1
angle_coeff @angle:c3-p4-n3 harmonic 39.50 102.37 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p4-n4 harmonic 37.54 99.57 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p4-n harmonic 38.98 103.26 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p4-na harmonic 37.92 117.67 # SOURCE3 5 19.0404
angle_coeff @angle:c3-p4-nh harmonic 39.33 102.79 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p4-no harmonic 38.24 99.80 # SOURCE3 3 0.2151
angle_coeff @angle:c3-p4-o harmonic 38.77 116.44 # SOURCE3 25 2.6494
angle_coeff @angle:c3-p4-oh harmonic 41.01 98.56 # SOURCE3 2 0.4558
angle_coeff @angle:c3-p4-os harmonic 41.17 98.01 # SOURCE3 2 0.0931
angle_coeff @angle:c3-p4-p2 harmonic 44.43 109.27 # SOURCE3 1
angle_coeff @angle:c3-p4-p3 harmonic 45.09 103.53 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p4-p4 harmonic 48.14 102.12 # SOURCE3 1
angle_coeff @angle:c3-p4-p5 harmonic 44.64 104.15 # SOURCE3 1
angle_coeff @angle:c3-p4-sh harmonic 37.43 100.17 # SOURCE3 2 0.0815
angle_coeff @angle:c3-p4-ss harmonic 37.38 101.19 # SOURCE3 1
angle_coeff @angle:ca-p4-ca harmonic 36.83 107.77 # SOURCE3 1
angle_coeff @angle:ca-p4-o harmonic 40.03 111.64 # SOURCE3 1
angle_coeff @angle:cl-p4-cl harmonic 33.80 103.51 # SOURCE3 1 0.0000
angle_coeff @angle:cl-p4-o harmonic 36.03 116.53 # SOURCE3 2 0.0000
angle_coeff @angle:hp-p4-hp harmonic 22.57 99.21 # SOURCE3 4 6.4572
angle_coeff @angle:hp-p4-n1 harmonic 30.24 99.91 # HF/6-31G* 1
angle_coeff @angle:hp-p4-o harmonic 31.44 109.35 # SOURCE3 6 10.8284
angle_coeff @angle:hp-p4-p3 harmonic 31.40 98.96 # SOURCE3 4 0.0000
angle_coeff @angle:hp-p4-s harmonic 24.32 110.24 # SOURCE3 4 4.1081
angle_coeff @angle:i-p4-i harmonic 38.53 113.22 # SOURCE3 2 6.7916
angle_coeff @angle:i-p4-o harmonic 37.71 110.22 # SOURCE3 4 9.7726
angle_coeff @angle:n1-p4-n1 harmonic 43.01 100.61 # HF/6-31G* 1
angle_coeff @angle:n1-p4-o harmonic 42.53 114.59 # HF/6-31G* 1
angle_coeff @angle:n2-p4-n2 harmonic 41.52 102.54 # SOURCE3 1
angle_coeff @angle:n2-p4-o harmonic 40.81 120.28 # SOURCE3 1
angle_coeff @angle:n3-p4-o harmonic 42.50 113.27 # SOURCE3 1 0.0000
angle_coeff @angle:n4-p4-o harmonic 39.56 107.61 # SOURCE3 1 0.0000
angle_coeff @angle:na-p4-o harmonic 45.17 110.60 # SOURCE3 5 1.3133
angle_coeff @angle:nh-p4-nh harmonic 43.52 95.30 # SOURCE3 1 0.0000
angle_coeff @angle:nh-p4-o harmonic 41.87 115.86 # SOURCE3 3 3.2712
angle_coeff @angle:n-p4-o harmonic 41.05 117.99 # SOURCE3 1 0.0000
angle_coeff @angle:no-p4-o harmonic 39.42 114.69 # SOURCE3 3 0.1070
angle_coeff @angle:oh-p4-oh harmonic 45.67 95.71 # SOURCE3 1 0.0000
angle_coeff @angle:o-p4-o harmonic 45.06 117.22 # SOURCE3 6 2.7792
angle_coeff @angle:o-p4-oh harmonic 42.88 117.39 # SOURCE3 4 1.0083
angle_coeff @angle:o-p4-os harmonic 43.10 116.67 # SOURCE3 4 0.6923
angle_coeff @angle:o-p4-p2 harmonic 44.91 121.35 # SOURCE3 1
angle_coeff @angle:o-p4-p3 harmonic 45.60 114.00 # SOURCE3 3 0.6663
angle_coeff @angle:o-p4-p4 harmonic 48.81 116.43 # SOURCE3 1
angle_coeff @angle:o-p4-p5 harmonic 46.05 109.76 # SOURCE3 1
angle_coeff @angle:o-p4-s4 harmonic 35.77 112.19 # SOURCE3 1
angle_coeff @angle:o-p4-s6 harmonic 35.22 113.89 # SOURCE3 1
angle_coeff @angle:o-p4-s harmonic 37.34 112.78 # SOURCE3 2 0.0000
angle_coeff @angle:o-p4-sh harmonic 36.99 118.09 # SOURCE3 1
angle_coeff @angle:os-p4-os harmonic 44.74 100.34 # SOURCE3 1 0.0000
angle_coeff @angle:o-p4-ss harmonic 37.47 116.14 # SOURCE3 4 1.0636
angle_coeff @angle:p2-p4-p2 harmonic 56.48 110.71 # SOURCE3 1
angle_coeff @angle:p3-p4-p3 harmonic 54.50 114.98 # SOURCE3 1 0.0000
angle_coeff @angle:p4-p4-p4 harmonic 61.44 107.38 # SOURCE3 1
angle_coeff @angle:p5-p4-p5 harmonic 55.76 107.78 # SOURCE3 1
angle_coeff @angle:s4-p4-s4 harmonic 36.61 96.24 # SOURCE3 1
angle_coeff @angle:s6-p4-s6 harmonic 35.22 102.36 # SOURCE3 1
angle_coeff @angle:sh-p4-sh harmonic 38.45 98.81 # SOURCE3 1 0.0000
angle_coeff @angle:s-p4-s harmonic 36.54 106.30 # SOURCE3 2 25.0119
angle_coeff @angle:ss-p4-ss harmonic 37.60 104.41 # SOURCE3 1 0.0000
angle_coeff @angle:br-p5-br harmonic 41.96 103.38 # SOURCE3 1 0.0000
angle_coeff @angle:br-p5-o harmonic 39.04 114.65 # SOURCE3 3 1.0910
angle_coeff @angle:br-p5-oh harmonic 40.90 102.92 # SOURCE3 4 0.5468
angle_coeff @angle:c1-p5-c1 harmonic 38.83 102.89 # SOURCE3 1 0.0000
angle_coeff @angle:c1-p5-o harmonic 40.32 115.77 # SOURCE3 2 0.0000
angle_coeff @angle:c1-p5-oh harmonic 41.43 102.79 # SOURCE3 2 0.0000
angle_coeff @angle:c2-p5-c2 harmonic 35.85 106.56 # SOURCE3 1
angle_coeff @angle:c2-p5-o harmonic 39.62 109.24 # SOURCE4 7 2.2628
angle_coeff @angle:c2-p5-oh harmonic 40.04 101.69 # SOURCE3 1
angle_coeff @angle:c2-p5-os harmonic 39.90 103.34 # SOURCE3 1
angle_coeff @angle:c3-p5-c3 harmonic 36.95 106.23 # SOURCE3 14 2.6389
angle_coeff @angle:c3-p5-hp harmonic 27.05 103.62 # SOURCE4 7 1.1616
angle_coeff @angle:c3-p5-n3 harmonic 40.01 102.76 # SOURCE3 1 0.0000
angle_coeff @angle:c3-p5-o harmonic 39.91 112.50 # SOURCE3 23 4.4203
angle_coeff @angle:c3-p5-oh harmonic 40.83 101.56 # SOURCE3 17 2.1803
angle_coeff @angle:c3-p5-os harmonic 41.20 100.77 # SOURCE4 51 2.0928
angle_coeff @angle:c3-p5-p4 harmonic 44.32 106.27 # SOURCE3 1
angle_coeff @angle:c3-p5-s harmonic 37.51 113.40 # SOURCE3 4 2.0067
angle_coeff @angle:c3-p5-ss harmonic 36.91 103.76 # SOURCE3 1 0.0000
angle_coeff @angle:ca-p5-ca harmonic 37.10 107.53 # SOURCE3 1
angle_coeff @angle:ca-p5-o harmonic 39.95 113.98 # SOURCE3 1
angle_coeff @angle:ca-p5-oh harmonic 41.04 101.77 # SOURCE3 1
angle_coeff @angle:ca-p5-os harmonic 40.86 103.75 # SOURCE3 1
angle_coeff @angle:c-p5-c harmonic 35.96 104.16 # SOURCE3 1
angle_coeff @angle:cl-p5-cl harmonic 33.77 103.70 # SOURCE2 1 0.0000
angle_coeff @angle:cl-p5-o harmonic 36.29 115.32 # SOURCE3 2 0.0000
angle_coeff @angle:cl-p5-oh harmonic 37.85 102.44 # SOURCE3 2 0.0000
angle_coeff @angle:c-p5-o harmonic 39.74 107.19 # SOURCE4 16 0.5711
angle_coeff @angle:c-p5-oh harmonic 39.73 102.12 # SOURCE3 1
angle_coeff @angle:f-p5-f harmonic 42.49 99.96 # SOURCE2 4 0.9197
angle_coeff @angle:f-p5-o harmonic 43.22 112.03 # SOURCE4 7 0.5178
angle_coeff @angle:f-p5-oh harmonic 43.33 101.98 # SOURCE3 2 0.0000
angle_coeff @angle:f-p5-os harmonic 43.51 102.70 # SOURCE4 5 0.1524
angle_coeff @angle:f-p5-s harmonic 38.09 117.40 # SOURCE2 1 0.0000
angle_coeff @angle:hp-p5-hp harmonic 21.44 101.09 # SOURCE3 4 1.3036
angle_coeff @angle:hp-p5-n1 harmonic 31.09 101.32 # HF/6-31G* 1
angle_coeff @angle:hp-p5-o harmonic 30.21 116.58 # SOURCE3 7 1.3282
angle_coeff @angle:hp-p5-oh harmonic 30.57 101.45 # SOURCE3 5 0.9084
angle_coeff @angle:hp-p5-s harmonic 25.97 119.20 # SOURCE2 1 0.0000
angle_coeff @angle:i-p5-i harmonic 35.88 107.17 # SOURCE3 1 0.0000
angle_coeff @angle:i-p5-o harmonic 32.99 115.93 # SOURCE3 3 0.0415
angle_coeff @angle:i-p5-oh harmonic 35.44 102.26 # SOURCE3 4 1.9577
angle_coeff @angle:n1-p5-n1 harmonic 45.78 101.55 # HF/6-31G* 1
angle_coeff @angle:n1-p5-o harmonic 44.71 113.78 # HF/6-31G* 1
angle_coeff @angle:n2-p5-n2 harmonic 43.96 106.34 # SOURCE3 1
angle_coeff @angle:n2-p5-o harmonic 44.30 113.53 # SOURCE3 1
angle_coeff @angle:n2-p5-oh harmonic 44.68 102.40 # SOURCE3 1
angle_coeff @angle:n3-p5-n3 harmonic 42.87 103.37 # SOURCE4 47 2.1009
angle_coeff @angle:n3-p5-nh harmonic 42.63 104.02 # SOURCE4 5 1.8740
angle_coeff @angle:n3-p5-o harmonic 43.02 114.64 # SOURCE4 76 2.2728
angle_coeff @angle:n3-p5-oh harmonic 43.43 104.18 # SOURCE3 6 0.4373
angle_coeff @angle:n3-p5-os harmonic 44.20 101.94 # SOURCE4 34 2.3553
angle_coeff @angle:n3-p5-s harmonic 39.05 117.12 # SOURCE4 7 0.7109
angle_coeff @angle:n4-p5-n4 harmonic 39.18 102.20 # SOURCE3 1 0.0000
angle_coeff @angle:n4-p5-o harmonic 41.10 109.78 # SOURCE3 5 2.7519
angle_coeff @angle:n4-p5-oh harmonic 42.23 98.48 # SOURCE3 6 0.4104
angle_coeff @angle:n4-p5-os harmonic 43.31 94.55 # SOURCE3 2 0.0000
angle_coeff @angle:na-p5-na harmonic 40.56 108.57 # SOURCE3 1 0.0000
angle_coeff @angle:na-p5-o harmonic 42.38 113.43 # SOURCE3 11 0.8968
angle_coeff @angle:na-p5-oh harmonic 43.14 102.07 # SOURCE3 16 1.4144
angle_coeff @angle:na-p5-os harmonic 43.20 103.06 # SOURCE3 4 0.7463
angle_coeff @angle:nh-p5-nh harmonic 43.48 99.51 # SOURCE3 1 0.0000
angle_coeff @angle:nh-p5-o harmonic 42.11 118.91 # SOURCE3 3 1.3237
angle_coeff @angle:nh-p5-oh harmonic 43.40 103.81 # SOURCE3 2 0.0000
angle_coeff @angle:nh-p5-os harmonic 44.39 100.51 # SOURCE3 2 0.0000
angle_coeff @angle:n-p5-n3 harmonic 42.13 104.11 # SOURCE4 11 1.4088
angle_coeff @angle:n-p5-n harmonic 41.80 103.09 # SOURCE3 1 0.0000
angle_coeff @angle:n-p5-o harmonic 43.40 108.73 # SOURCE4 5 0.2571
angle_coeff @angle:n-p5-oh harmonic 43.17 102.44 # SOURCE3 4 0.0999
angle_coeff @angle:no-p5-no harmonic 40.40 95.68 # SOURCE3 1 0.0000
angle_coeff @angle:no-p5-o harmonic 40.49 112.75 # SOURCE3 4 3.3684
angle_coeff @angle:no-p5-oh harmonic 41.56 101.35 # SOURCE3 2 0.0000
angle_coeff @angle:no-p5-os harmonic 41.69 101.70 # SOURCE3 4 0.0565
angle_coeff @angle:n-p5-os harmonic 43.85 100.48 # SOURCE3 2 0.0000
angle_coeff @angle:oh-p5-oh harmonic 44.58 102.45 # SOURCE3 39 2.4223
angle_coeff @angle:oh-p5-os harmonic 44.91 102.37 # SOURCE3 8 1.5063
angle_coeff @angle:oh-p5-p2 harmonic 48.24 103.53 # SOURCE3 1
angle_coeff @angle:oh-p5-p3 harmonic 47.55 103.83 # SOURCE3 13 0.4303
angle_coeff @angle:oh-p5-p4 harmonic 47.57 101.79 # SOURCE3 1
angle_coeff @angle:oh-p5-p5 harmonic 51.43 100.45 # SOURCE3 1
angle_coeff @angle:oh-p5-s4 harmonic 40.30 103.24 # SOURCE3 1
angle_coeff @angle:oh-p5-s6 harmonic 40.65 101.48 # SOURCE3 1
angle_coeff @angle:oh-p5-s harmonic 42.20 102.88 # SOURCE3 3 1.6044
angle_coeff @angle:oh-p5-sh harmonic 40.01 101.41 # SOURCE3 2 0.0000
angle_coeff @angle:oh-p5-ss harmonic 38.95 104.33 # SOURCE3 6 2.0112
angle_coeff @angle:o-p5-o harmonic 46.01 115.80 # SOURCE3 17 5.7902
angle_coeff @angle:o-p5-oh harmonic 43.79 115.26 # SOURCE4 740 1.3004
angle_coeff @angle:o-p5-os harmonic 44.01 116.09 # SOURCE3 35 3.2062
angle_coeff @angle:o-p5-p2 harmonic 46.23 114.60 # SOURCE3 1
angle_coeff @angle:o-p5-p3 harmonic 45.38 115.48 # SOURCE3 9 2.1084
angle_coeff @angle:o-p5-p4 harmonic 45.07 114.66 # SOURCE3 1
angle_coeff @angle:o-p5-p5 harmonic 49.11 113.44 # SOURCE3 1
angle_coeff @angle:o-p5-s4 harmonic 39.61 110.23 # SOURCE3 1
angle_coeff @angle:o-p5-s6 harmonic 39.34 111.75 # SOURCE3 1
angle_coeff @angle:o-p5-s harmonic 40.46 116.94 # SOURCE3 3 2.9506
angle_coeff @angle:o-p5-sh harmonic 38.14 114.56 # SOURCE3 3 1.7645
angle_coeff @angle:os-p5-os harmonic 45.37 101.77 # SOURCE4 243 2.0816
angle_coeff @angle:os-p5-p3 harmonic 47.66 103.67 # SOURCE3 2 0.0000
angle_coeff @angle:os-p5-p5 harmonic 50.58 104.48 # SOURCE3 1
angle_coeff @angle:os-p5-s4 harmonic 40.57 102.52 # SOURCE3 1
angle_coeff @angle:os-p5-s6 harmonic 40.69 101.89 # SOURCE3 1
angle_coeff @angle:o-p5-ss harmonic 37.95 112.46 # SOURCE3 6 2.7392
angle_coeff @angle:os-p5-s harmonic 39.69 117.28 # SOURCE4 74 0.7542
angle_coeff @angle:os-p5-sh harmonic 39.51 104.59 # SOURCE3 2 0.0000
angle_coeff @angle:os-p5-ss harmonic 39.36 102.65 # SOURCE4 25 1.8093
angle_coeff @angle:p2-p5-p2 harmonic 57.39 107.14 # SOURCE3 1
angle_coeff @angle:p3-p5-p3 harmonic 57.04 105.23 # SOURCE3 3 5.1024
angle_coeff @angle:p4-p5-p4 harmonic 57.42 101.62 # SOURCE3 1
angle_coeff @angle:p5-p5-p5 harmonic 59.38 112.72 # SOURCE3 1
angle_coeff @angle:s6-p5-s6 harmonic 38.64 105.18 # SOURCE3 1
angle_coeff @angle:sh-p5-sh harmonic 37.97 104.56 # SOURCE3 1 0.0000
angle_coeff @angle:sh-p5-ss harmonic 37.22 107.13 # SOURCE3 1
angle_coeff @angle:s-p5-s harmonic 39.37 114.13 # SOURCE3 1 0.0000
angle_coeff @angle:ss-p5-ss harmonic 36.51 109.61 # SOURCE3 1 0.0000
angle_coeff @angle:cd-pc-n harmonic 42.75 90.80 # SOURCE3 3 2.3423
angle_coeff @angle:cd-pc-na harmonic 43.00 90.18 # SOURCE3 81 2.7619
angle_coeff @angle:cc-pd-n harmonic 42.75 90.80 # SOURCE3 3 same_as_cd-pc-n
angle_coeff @angle:cc-pd-na harmonic 43.00 90.18 # SOURCE3 81 same_as_cd-pc-na
angle_coeff @angle:c2-pe-ca harmonic 38.84 101.44 # SOURCE3 3 0.7177
angle_coeff @angle:c2-pe-ce harmonic 38.68 103.01 # SOURCE3 4 1.4470
angle_coeff @angle:c2-pe-cg harmonic 40.85 104.03 # SOURCE3 3 3.8740
angle_coeff @angle:c2-pe-n2 harmonic 44.94 94.14 # SOURCE3 1
angle_coeff @angle:c2-pe-ne harmonic 41.85 98.70 # SOURCE3 12 5.3383
angle_coeff @angle:c2-pe-o harmonic 41.06 115.16 # SOURCE3 2 0.0149
angle_coeff @angle:c2-pe-p2 harmonic 50.94 107.82 # SOURCE3 1
angle_coeff @angle:c2-pe-pe harmonic 48.17 102.99 # SOURCE3 9 8.2860
angle_coeff @angle:c2-pe-px harmonic 51.11 97.37 # SOURCE3 4 0.6655
angle_coeff @angle:c2-pe-py harmonic 50.92 96.71 # SOURCE3 4 1.2755
angle_coeff @angle:c2-pe-s harmonic 41.06 111.16 # SOURCE3 2 0.0000
angle_coeff @angle:c2-pe-sx harmonic 38.51 95.11 # SOURCE3 4 0.2676
angle_coeff @angle:c2-pe-sy harmonic 37.78 95.56 # SOURCE3 2 0.0462
angle_coeff @angle:ca-pe-n2 harmonic 40.97 102.03 # SOURCE3 1 0.0000
angle_coeff @angle:ca-pe-o harmonic 40.40 106.88 # SOURCE3 2 0.0018
angle_coeff @angle:ca-pe-p2 harmonic 50.96 100.79 # SOURCE3 1 0.0000
angle_coeff @angle:ca-pe-pf harmonic 48.44 99.70 # SOURCE3 2 0.0000
angle_coeff @angle:ca-pe-s harmonic 40.07 107.93 # SOURCE3 1 0.0000
angle_coeff @angle:c-pe-c2 harmonic 38.58 97.30 # SOURCE3 3 0.0335
angle_coeff @angle:ce-pe-n2 harmonic 41.45 100.55 # SOURCE3 1 0.0000
angle_coeff @angle:ce-pe-o harmonic 40.47 107.44 # SOURCE3 1 0.0000
angle_coeff @angle:ce-pe-p2 harmonic 51.42 99.56 # SOURCE3 1 0.0000
angle_coeff @angle:ce-pe-s harmonic 40.65 105.54 # SOURCE3 1 0.0000
angle_coeff @angle:cg-pe-n2 harmonic 44.31 101.79 # SOURCE3 1 0.0000
angle_coeff @angle:cg-pe-o harmonic 43.57 107.62 # SOURCE3 1 0.0000
angle_coeff @angle:cg-pe-p2 harmonic 52.47 104.68 # SOURCE3 2 5.1435
angle_coeff @angle:cg-pe-s harmonic 42.30 108.60 # SOURCE3 4 2.6981
angle_coeff @angle:n2-pe-n2 harmonic 45.26 108.14 # SOURCE3 1
angle_coeff @angle:n2-pe-ne harmonic 42.89 106.80 # SOURCE3 6 4.5981
angle_coeff @angle:n2-pe-o harmonic 44.34 115.39 # SOURCE3 1 0.0000
angle_coeff @angle:n2-pe-p2 harmonic 52.85 111.60 # SOURCE3 1
angle_coeff @angle:n2-pe-pe harmonic 48.70 109.40 # SOURCE3 1 0.0000
angle_coeff @angle:n2-pe-px harmonic 50.28 110.30 # SOURCE3 3 6.0548
angle_coeff @angle:n2-pe-py harmonic 54.11 93.68 # SOURCE3 1 0.0000
angle_coeff @angle:n2-pe-s harmonic 42.94 114.84 # SOURCE3 3 3.6512
angle_coeff @angle:n2-pe-sx harmonic 39.42 97.83 # SOURCE3 1 0.0000
angle_coeff @angle:n2-pe-sy harmonic 38.61 98.14 # SOURCE3 1 0.0000
angle_coeff @angle:ne-pe-o harmonic 42.65 110.24 # SOURCE3 3 3.8478
angle_coeff @angle:ne-pe-p2 harmonic 52.77 104.48 # SOURCE3 2 7.1207
angle_coeff @angle:ne-pe-s harmonic 42.21 109.19 # SOURCE3 5 3.6708
angle_coeff @angle:o-pe-o harmonic 44.01 119.96 # SOURCE3 1 0.0000
angle_coeff @angle:o-pe-p2 harmonic 52.71 114.23 # SOURCE3 1 0.0000
angle_coeff @angle:o-pe-pe harmonic 42.47 145.96 # SOURCE3 1 0.0000
angle_coeff @angle:o-pe-px harmonic 52.10 104.37 # SOURCE3 1 0.0000
angle_coeff @angle:o-pe-py harmonic 51.64 104.49 # SOURCE3 1 0.0000
angle_coeff @angle:o-pe-s harmonic 42.89 117.42 # SOURCE3 2 0.0426
angle_coeff @angle:o-pe-sx harmonic 38.02 106.59 # SOURCE3 1 0.0000
angle_coeff @angle:o-pe-sy harmonic 37.56 105.04 # SOURCE3 1 0.0000
angle_coeff @angle:p2-pe-pe harmonic 65.58 98.24 # SOURCE3 1 0.0000
angle_coeff @angle:p2-pe-px harmonic 64.12 108.28 # SOURCE3 2 6.2959
angle_coeff @angle:p2-pe-py harmonic 62.99 110.87 # SOURCE3 3 8.1645
angle_coeff @angle:p2-pe-s harmonic 53.42 111.28 # SOURCE3 1 0.0000
angle_coeff @angle:p2-pe-sx harmonic 51.26 95.73 # SOURCE3 1 0.0000
angle_coeff @angle:p2-pe-sy harmonic 50.47 95.95 # SOURCE3 1 0.0000
angle_coeff @angle:pe-pe-s harmonic 50.40 107.91 # SOURCE3 2 1.5577
angle_coeff @angle:px-pe-s harmonic 51.97 107.62 # SOURCE3 2 3.7266
angle_coeff @angle:py-pe-s harmonic 51.36 108.73 # SOURCE3 3 5.3201
angle_coeff @angle:s-pe-s harmonic 34.43 178.44 # SOURCE3 1 0.0000
angle_coeff @angle:s-pe-sx harmonic 38.72 108.32 # SOURCE3 2 3.0318
angle_coeff @angle:s-pe-sy harmonic 38.35 106.93 # SOURCE3 1 0.0000
angle_coeff @angle:c2-pf-ca harmonic 38.84 101.44 # SOURCE3 3 same_as_c2-pe-ca
angle_coeff @angle:c2-pf-cf harmonic 38.68 103.01 # SOURCE3 4 same_as_c2-pe-ce
angle_coeff @angle:c2-pf-ch harmonic 40.85 104.03 # SOURCE3 3 same_as_c2-pe-cg
angle_coeff @angle:c2-pf-n2 harmonic 44.94 94.14 # SOURCE3 1 same_as_c2-pe-n2
angle_coeff @angle:c2-pf-nf harmonic 41.85 98.70 # SOURCE3 12 same_as_c2-pe-ne
angle_coeff @angle:c2-pf-o harmonic 41.06 115.16 # SOURCE3 2 same_as_c2-pe-o
angle_coeff @angle:c2-pf-p2 harmonic 50.94 107.82 # SOURCE3 1 same_as_c2-pe-p2
angle_coeff @angle:c2-pf-pf harmonic 48.17 102.99 # SOURCE3 9 same_as_c2-pe-pe
angle_coeff @angle:c2-pf-px harmonic 51.11 97.37 # SOURCE3 4 same_as_c2-pe-px
angle_coeff @angle:c2-pf-py harmonic 50.92 96.71 # SOURCE3 4 same_as_c2-pe-py
angle_coeff @angle:c2-pf-s harmonic 41.06 111.16 # SOURCE3 2 same_as_c2-pe-s
angle_coeff @angle:c2-pf-sx harmonic 38.51 95.11 # SOURCE3 4 same_as_c2-pe-sx
angle_coeff @angle:c2-pf-sy harmonic 37.78 95.56 # SOURCE3 2 same_as_c2-pe-sy
angle_coeff @angle:ca-pf-n2 harmonic 40.97 102.03 # SOURCE3 1 same_as_ca-pe-n2
angle_coeff @angle:ca-pf-o harmonic 40.40 106.88 # SOURCE3 2 same_as_ca-pe-o
angle_coeff @angle:ca-pf-p2 harmonic 50.96 100.79 # SOURCE3 1 same_as_ca-pe-p2
angle_coeff @angle:ca-pf-pe harmonic 48.44 99.70 # SOURCE3 2 0.0000
angle_coeff @angle:ca-pf-s harmonic 40.07 107.93 # SOURCE3 1 same_as_ca-pe-s
angle_coeff @angle:c-pf-c2 harmonic 38.58 97.30 # SOURCE3 3 same_as_c-pe-c2
angle_coeff @angle:cf-pf-n2 harmonic 41.45 100.55 # SOURCE3 1 same_as_ce-pe-n2
angle_coeff @angle:cf-pf-o harmonic 40.47 107.44 # SOURCE3 1 same_as_ce-pe-o
angle_coeff @angle:cf-pf-p2 harmonic 51.42 99.56 # SOURCE3 1 same_as_ce-pe-p2
angle_coeff @angle:cf-pf-s harmonic 40.65 105.54 # SOURCE3 1 same_as_ce-pe-s
angle_coeff @angle:ch-pf-n2 harmonic 44.31 101.79 # SOURCE3 1 same_as_cg-pe-n2
angle_coeff @angle:ch-pf-o harmonic 43.57 107.62 # SOURCE3 1 same_as_cg-pe-o
angle_coeff @angle:ch-pf-p2 harmonic 52.47 104.68 # SOURCE3 2 same_as_cg-pe-p2
angle_coeff @angle:ch-pf-s harmonic 42.30 108.60 # SOURCE3 4 same_as_cg-pe-s
angle_coeff @angle:n2-pf-n2 harmonic 45.26 108.14 # SOURCE3 1 same_as_n2-pe-n2
angle_coeff @angle:n2-pf-nf harmonic 42.89 106.80 # SOURCE3 6 same_as_n2-pe-ne
angle_coeff @angle:n2-pf-o harmonic 44.34 115.39 # SOURCE3 1 same_as_n2-pe-o
angle_coeff @angle:n2-pf-p2 harmonic 52.85 111.60 # SOURCE3 1 same_as_n2-pe-p2
angle_coeff @angle:n2-pf-pf harmonic 48.70 109.40 # SOURCE3 1 same_as_n2-pe-pe
angle_coeff @angle:n2-pf-px harmonic 50.28 110.30 # SOURCE3 3 same_as_n2-pe-px
angle_coeff @angle:n2-pf-py harmonic 54.11 93.68 # SOURCE3 1 same_as_n2-pe-py
angle_coeff @angle:n2-pf-s harmonic 42.94 114.84 # SOURCE3 3 same_as_n2-pe-s
angle_coeff @angle:n2-pf-sx harmonic 39.42 97.83 # SOURCE3 1 same_as_n2-pe-sx
angle_coeff @angle:n2-pf-sy harmonic 38.61 98.14 # SOURCE3 1 same_as_n2-pe-sy
angle_coeff @angle:nf-pf-o harmonic 42.65 110.24 # SOURCE3 3 same_as_ne-pe-o
angle_coeff @angle:nf-pf-p2 harmonic 52.77 104.48 # SOURCE3 2 same_as_ne-pe-p2
angle_coeff @angle:nf-pf-s harmonic 42.21 109.19 # SOURCE3 5 same_as_ne-pe-s
angle_coeff @angle:o-pf-o harmonic 44.01 119.96 # SOURCE3 1 same_as_o-pe-o
angle_coeff @angle:o-pf-p2 harmonic 52.71 114.23 # SOURCE3 1 same_as_o-pe-p2
angle_coeff @angle:o-pf-pf harmonic 42.47 145.96 # SOURCE3 1 same_as_o-pe-pe
angle_coeff @angle:o-pf-px harmonic 52.10 104.37 # SOURCE3 1 same_as_o-pe-px
angle_coeff @angle:o-pf-py harmonic 51.64 104.49 # SOURCE3 1 same_as_o-pe-py
angle_coeff @angle:o-pf-s harmonic 42.89 117.42 # SOURCE3 2 same_as_o-pe-s
angle_coeff @angle:o-pf-sx harmonic 38.02 106.59 # SOURCE3 1 same_as_o-pe-sx
angle_coeff @angle:o-pf-sy harmonic 37.56 105.04 # SOURCE3 1 same_as_o-pe-sy
angle_coeff @angle:p2-pf-pf harmonic 65.58 98.24 # SOURCE3 1 same_as_p2-pe-pe
angle_coeff @angle:p2-pf-px harmonic 64.12 108.28 # SOURCE3 2 same_as_p2-pe-px
angle_coeff @angle:p2-pf-py harmonic 62.99 110.87 # SOURCE3 3 same_as_p2-pe-py
angle_coeff @angle:p2-pf-s harmonic 53.42 111.28 # SOURCE3 1 same_as_p2-pe-s
angle_coeff @angle:p2-pf-sx harmonic 51.26 95.73 # SOURCE3 1 same_as_p2-pe-sx
angle_coeff @angle:p2-pf-sy harmonic 50.47 95.95 # SOURCE3 1 same_as_p2-pe-sy
angle_coeff @angle:pf-pf-s harmonic 50.40 107.91 # SOURCE3 2 same_as_pe-pe-s
angle_coeff @angle:px-pf-s harmonic 51.97 107.62 # SOURCE3 2 same_as_px-pe-s
angle_coeff @angle:py-pf-s harmonic 51.36 108.73 # SOURCE3 3 same_as_py-pe-s
angle_coeff @angle:s-pf-s harmonic 34.43 178.44 # SOURCE3 1 same_as_s-pe-s
angle_coeff @angle:s-pf-sx harmonic 38.72 108.32 # SOURCE3 2 same_as_s-pe-sx
angle_coeff @angle:s-pf-sy harmonic 38.35 106.93 # SOURCE3 1 same_as_s-pe-sy
angle_coeff @angle:c3-px-ca harmonic 36.97 104.79 # SOURCE3 1 0.0000
angle_coeff @angle:c3-px-ce harmonic 37.00 104.86 # SOURCE3 4 0.6354
angle_coeff @angle:c3-px-cf harmonic 37.00 104.86 # SOURCE3 4 same_as_c3-px-ce
angle_coeff @angle:c3-px-ne harmonic 39.55 102.46 # SOURCE3 7 1.8685
angle_coeff @angle:c3-px-nf harmonic 39.55 102.46 # SOURCE3 7 same_as_c3-px-ne
angle_coeff @angle:c3-px-o harmonic 39.39 113.68 # SOURCE3 28 4.8990
angle_coeff @angle:c3-px-pe harmonic 47.82 105.73 # SOURCE3 10 4.4059
angle_coeff @angle:c3-px-pf harmonic 47.82 105.73 # SOURCE3 10 same_as_c3-px-pe
angle_coeff @angle:c3-px-py harmonic 45.50 103.11 # SOURCE3 3 0.8680
angle_coeff @angle:c3-px-sx harmonic 36.06 99.55 # SOURCE3 1 0.0000
angle_coeff @angle:c3-px-sy harmonic 35.30 103.41 # SOURCE3 1 0.0000
angle_coeff @angle:ca-px-ca harmonic 37.08 104.15 # SOURCE3 2 3.6168
angle_coeff @angle:ca-px-o harmonic 40.49 107.50 # SOURCE3 5 5.7355
angle_coeff @angle:c-px-c3 harmonic 36.70 101.72 # SOURCE3 1 0.0000
angle_coeff @angle:ce-px-ce harmonic 37.15 104.21 # SOURCE3 1 0.0000
angle_coeff @angle:ce-px-o harmonic 39.42 113.79 # SOURCE3 6 0.3877
angle_coeff @angle:cf-px-cf harmonic 37.15 104.21 # SOURCE3 1 same_as_ce-px-ce
angle_coeff @angle:cf-px-o harmonic 39.42 113.79 # SOURCE3 6 same_as_ce-px-o
angle_coeff @angle:c-px-o harmonic 37.98 114.47 # SOURCE3 1 0.0000
angle_coeff @angle:ne-px-ne harmonic 41.92 103.22 # SOURCE3 2 0.6807
angle_coeff @angle:ne-px-o harmonic 42.27 114.13 # SOURCE3 11 8.9737
angle_coeff @angle:nf-px-nf harmonic 41.92 103.22 # SOURCE3 2 same_as_ne-px-ne
angle_coeff @angle:nf-px-o harmonic 42.27 114.13 # SOURCE3 11 same_as_ne-px-o
angle_coeff @angle:o-px-pe harmonic 49.41 116.50 # SOURCE3 12 8.2925
angle_coeff @angle:o-px-pf harmonic 49.41 116.50 # SOURCE3 12 same_as_o-px-pe
angle_coeff @angle:o-px-py harmonic 45.90 114.20 # SOURCE3 5 1.7165
angle_coeff @angle:o-px-sx harmonic 35.81 112.81 # SOURCE3 3 0.8799
angle_coeff @angle:o-px-sy harmonic 35.59 113.54 # SOURCE3 3 0.5010
angle_coeff @angle:pe-px-pe harmonic 61.38 110.71 # SOURCE3 1 0.0000
angle_coeff @angle:pf-px-pf harmonic 61.38 110.71 # SOURCE3 1 same_as_pe-px-pe
angle_coeff @angle:py-px-py harmonic 56.72 107.78 # SOURCE3 1 0.0000
angle_coeff @angle:sx-px-sx harmonic 36.76 96.24 # SOURCE3 1 0.0000
angle_coeff @angle:sy-px-sy harmonic 35.53 102.36 # SOURCE3 1 0.0000
angle_coeff @angle:c3-py-n4 harmonic 37.34 103.83 # SOURCE3 4 0.0000
angle_coeff @angle:c3-py-na harmonic 38.76 106.89 # SOURCE3 2 0.0000
angle_coeff @angle:c3-py-o harmonic 38.95 117.87 # SOURCE3 13 2.3554
angle_coeff @angle:c3-py-oh harmonic 41.22 100.16 # SOURCE3 2 0.0000
angle_coeff @angle:c3-py-os harmonic 40.15 105.39 # SOURCE3 1 0.0000
angle_coeff @angle:c3-py-px harmonic 44.89 106.27 # SOURCE3 2 0.0000
angle_coeff @angle:c3-py-py harmonic 43.54 113.97 # SOURCE3 10 1.6346
angle_coeff @angle:c3-py-sx harmonic 34.74 106.36 # SOURCE3 4 0.0000
angle_coeff @angle:ca-py-ca harmonic 36.99 107.55 # SOURCE3 1 0.0000
angle_coeff @angle:ca-py-o harmonic 39.82 113.98 # SOURCE3 3 0.5309
angle_coeff @angle:ca-py-oh harmonic 40.90 102.68 # SOURCE4 5 1.2945
angle_coeff @angle:ca-py-os harmonic 40.66 103.75 # SOURCE3 2 0.0000
angle_coeff @angle:c-py-c3 harmonic 35.71 110.36 # SOURCE3 1 0.0000
angle_coeff @angle:c-py-c harmonic 36.23 104.20 # SOURCE3 1 0.0000
angle_coeff @angle:ce-py-ce harmonic 37.29 106.54 # SOURCE3 1 0.0000
angle_coeff @angle:ce-py-o harmonic 40.24 112.16 # SOURCE3 5 3.2594
angle_coeff @angle:ce-py-oh harmonic 40.58 104.77 # SOURCE3 6 2.1852
angle_coeff @angle:ce-py-os harmonic 40.82 103.34 # SOURCE3 2 0.0000
angle_coeff @angle:cf-py-cf harmonic 37.29 106.54 # SOURCE3 1 same_as_ce-py-ce
angle_coeff @angle:cf-py-o harmonic 40.24 112.16 # SOURCE3 5 same_as_ce-py-o
angle_coeff @angle:cf-py-oh harmonic 40.58 104.77 # SOURCE3 6 same_as_ce-py-oh
angle_coeff @angle:cf-py-os harmonic 40.82 103.34 # SOURCE3 2 same_as_ce-py-os
angle_coeff @angle:c-py-o harmonic 38.52 115.25 # SOURCE3 6 2.6519
angle_coeff @angle:c-py-oh harmonic 40.03 102.14 # SOURCE3 6 1.0654
angle_coeff @angle:c-py-os harmonic 41.32 95.74 # SOURCE3 3 9.0999
angle_coeff @angle:n3-py-ne harmonic 41.93 108.44 # SOURCE4 12 0.9498
angle_coeff @angle:n4-py-o harmonic 38.83 115.58 # SOURCE3 4 0.0000
angle_coeff @angle:n4-py-py harmonic 63.24 55.10 # SOURCE3 4 0.0000
angle_coeff @angle:na-py-o harmonic 40.78 122.40 # SOURCE3 2 0.0000
angle_coeff @angle:na-py-py harmonic 67.66 50.88 # SOURCE3 2 0.0000
angle_coeff @angle:ne-py-ne harmonic 43.51 106.29 # SOURCE3 1 0.0000
angle_coeff @angle:ne-py-o harmonic 44.00 113.21 # SOURCE3 15 3.8894
angle_coeff @angle:ne-py-oh harmonic 44.13 104.70 # SOURCE3 26 2.7513
angle_coeff @angle:ne-py-os harmonic 44.80 101.33 # SOURCE3 2 0.0000
angle_coeff @angle:nf-py-nf harmonic 43.51 106.29 # SOURCE3 1 same_as_ne-py-ne
angle_coeff @angle:nf-py-o harmonic 44.00 113.21 # SOURCE3 15 same_as_ne-py-o
angle_coeff @angle:nf-py-oh harmonic 44.13 104.70 # SOURCE3 26 same_as_ne-py-oh
angle_coeff @angle:nf-py-os harmonic 44.80 101.33 # SOURCE3 2 same_as_ne-py-os
angle_coeff @angle:oh-py-oh harmonic 45.06 101.78 # SOURCE3 35 2.2937
angle_coeff @angle:oh-py-pe harmonic 50.99 104.84 # SOURCE3 22 2.0337
angle_coeff @angle:oh-py-pf harmonic 50.99 104.84 # SOURCE3 22 same_as_oh-py-pe
angle_coeff @angle:oh-py-px harmonic 47.75 104.30 # SOURCE3 8 1.2772
angle_coeff @angle:oh-py-py harmonic 48.91 100.45 # SOURCE3 6 0.0000
angle_coeff @angle:oh-py-sx harmonic 37.44 100.94 # SOURCE3 4 0.0000
angle_coeff @angle:oh-py-sy harmonic 38.51 101.47 # SOURCE3 6 0.2490
angle_coeff @angle:o-py-oh harmonic 43.74 116.14 # SOURCE3 79 2.1455
angle_coeff @angle:o-py-os harmonic 43.55 116.79 # SOURCE3 17 1.3534
angle_coeff @angle:o-py-pe harmonic 49.46 114.56 # SOURCE3 12 3.6114
angle_coeff @angle:o-py-pf harmonic 49.46 114.56 # SOURCE3 12 same_as_o-py-pe
angle_coeff @angle:o-py-px harmonic 46.50 111.37 # SOURCE3 5 0.3803
angle_coeff @angle:o-py-py harmonic 44.97 120.43 # SOURCE3 16 6.0629
angle_coeff @angle:os-py-os harmonic 45.06 101.25 # SOURCE3 8 2.0860
angle_coeff @angle:os-py-py harmonic 47.94 104.48 # SOURCE3 4 0.0000
angle_coeff @angle:os-py-sx harmonic 36.90 103.86 # SOURCE3 2 0.0000
angle_coeff @angle:os-py-sy harmonic 38.37 102.12 # SOURCE3 2 0.0000
angle_coeff @angle:o-py-sx harmonic 34.68 118.56 # SOURCE3 7 6.2976
angle_coeff @angle:o-py-sy harmonic 36.96 111.71 # SOURCE3 5 1.1937
angle_coeff @angle:pe-py-pe harmonic 61.78 107.14 # SOURCE3 1 0.0000
angle_coeff @angle:pf-py-pf harmonic 61.78 107.14 # SOURCE3 1 same_as_pe-py-pe
angle_coeff @angle:py-py-py harmonic 55.80 112.70 # SOURCE3 1 0.0000
angle_coeff @angle:py-py-sx harmonic 58.65 61.54 # SOURCE3 4 0.0000
angle_coeff @angle:sy-py-sy harmonic 36.13 105.17 # SOURCE3 1 0.0000
angle_coeff @angle:c1-s2-o harmonic 65.76 117.25 # SOURCE3 1 0.0000
angle_coeff @angle:c2-s2-n2 harmonic 68.67 110.84 # SOURCE3 1 0.0000
angle_coeff @angle:c2-s2-o harmonic 66.18 114.70 # SOURCE2 1 0.0000
angle_coeff @angle:cl-s2-n1 harmonic 53.42 117.70 # SOURCE2 1 0.0000
angle_coeff @angle:f-s2-n1 harmonic 66.15 116.90 # SOURCE2 1 0.0000
angle_coeff @angle:n1-s2-o harmonic 73.05 108.46 # HF/6-31G* 1
angle_coeff @angle:n2-s2-o harmonic 67.93 121.20 # SOURCE2 2 0.8000
angle_coeff @angle:o-s2-o harmonic 67.99 116.17 # SOURCE3 1 0.0000
angle_coeff @angle:o-s2-s harmonic 63.79 118.30 # SOURCE2 1 0.0000
angle_coeff @angle:s-s2-s harmonic 63.50 115.04 # SOURCE3 1 0.0000
angle_coeff @angle:br-s4-br harmonic 64.61 98.02 # SOURCE3 1
angle_coeff @angle:br-s4-c3 harmonic 62.19 92.98 # SOURCE3 1 0.0000
angle_coeff @angle:br-s4-o harmonic 59.20 112.07 # SOURCE3 1 0.0000
angle_coeff @angle:c1-s4-c1 harmonic 65.35 93.55 # SOURCE3 1 0.0000
angle_coeff @angle:c1-s4-o harmonic 65.98 110.36 # SOURCE3 2 0.0000
angle_coeff @angle:c2-s4-c2 harmonic 62.00 102.29 # SOURCE3 1
angle_coeff @angle:c2-s4-c3 harmonic 63.48 94.95 # SOURCE3 1
angle_coeff @angle:c2-s4-o harmonic 66.61 107.09 # SOURCE3 1
angle_coeff @angle:c3-s4-c3 harmonic 62.07 96.82 # SOURCE3 11 1.5580
angle_coeff @angle:c3-s4-ca harmonic 62.99 95.00 # SOURCE3 1
angle_coeff @angle:c3-s4-f harmonic 66.32 91.70 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-hs harmonic 46.55 90.60 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-i harmonic 52.86 90.53 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-n2 harmonic 69.07 90.59 # SOURCE3 1
angle_coeff @angle:c3-s4-n3 harmonic 65.18 94.49 # SOURCE3 4 1.5570
angle_coeff @angle:c3-s4-n harmonic 64.28 96.07 # SOURCE3 4 1.0354
angle_coeff @angle:c3-s4-n4 harmonic 61.99 92.47 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-na harmonic 65.11 93.07 # SOURCE3 10 1.8813
angle_coeff @angle:c3-s4-nh harmonic 64.51 97.08 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-no harmonic 62.53 89.53 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-o harmonic 65.63 106.21 # SOURCE3 60 2.0426
angle_coeff @angle:c3-s4-oh harmonic 68.22 90.25 # SOURCE4 8 0.3023
angle_coeff @angle:c3-s4-os harmonic 68.23 90.06 # SOURCE3 4 0.4484
angle_coeff @angle:c3-s4-p2 harmonic 76.43 94.37 # SOURCE3 1
angle_coeff @angle:c3-s4-p3 harmonic 78.19 96.54 # SOURCE3 4 1.3634
angle_coeff @angle:c3-s4-p4 harmonic 73.69 97.40 # SOURCE3 1
angle_coeff @angle:c3-s4-p5 harmonic 78.32 99.18 # SOURCE3 1
angle_coeff @angle:c3-s4-s4 harmonic 64.31 89.50 # SOURCE3 1
angle_coeff @angle:c3-s4-s harmonic 61.31 98.72 # SOURCE3 2 0.0185
angle_coeff @angle:c3-s4-s6 harmonic 61.62 97.48 # SOURCE3 1
angle_coeff @angle:c3-s4-sh harmonic 60.74 94.66 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s4-ss harmonic 60.58 95.31 # SOURCE3 3 1.4101
angle_coeff @angle:ca-s4-ca harmonic 63.26 95.21 # SOURCE3 1
angle_coeff @angle:ca-s4-o harmonic 66.01 106.63 # SOURCE3 1
angle_coeff @angle:c-s4-c3 harmonic 61.53 95.07 # SOURCE3 1
angle_coeff @angle:c-s4-c harmonic 63.34 86.83 # SOURCE3 1
angle_coeff @angle:cl-s4-cl harmonic 53.89 97.68 # SOURCE3 1 0.0000
angle_coeff @angle:cl-s4-o harmonic 58.13 108.34 # SOURCE3 2 0.0000
angle_coeff @angle:c-s4-o harmonic 63.97 106.17 # SOURCE3 1
angle_coeff @angle:cx-s4-cx harmonic 86.71 48.80 # SOURCE2 1 0.0000
angle_coeff @angle:cx-s4-o harmonic 64.10 110.00 # SOURCE2 1 0.0000
angle_coeff @angle:f-s4-f harmonic 69.99 92.71 # SOURCE2 3 0.1490
angle_coeff @angle:f-s4-o harmonic 70.11 106.81 # SOURCE2 2 0.0100
angle_coeff @angle:f-s4-s harmonic 59.78 107.50 # SOURCE2 1 0.0000
angle_coeff @angle:hs-s4-hs harmonic 37.79 87.00 # SOURCE3 2 0.0202
angle_coeff @angle:hs-s4-n1 harmonic 51.22 90.51 # HF/6-31G* 1
angle_coeff @angle:hs-s4-o harmonic 49.80 110.27 # SOURCE3 5 0.1908
angle_coeff @angle:i-s4-i harmonic 54.45 97.29 # SOURCE3 1
angle_coeff @angle:i-s4-o harmonic 47.32 113.91 # SOURCE3 1 0.0000
angle_coeff @angle:n1-s4-n1 harmonic 72.41 94.02 # HF/6-31G* 1
angle_coeff @angle:n1-s4-o harmonic 70.24 110.09 # HF/6-31G* 1
angle_coeff @angle:n2-s4-n2 harmonic 75.77 90.17 # SOURCE3 1
angle_coeff @angle:n2-s4-o harmonic 72.12 107.57 # SOURCE3 1
angle_coeff @angle:n3-s4-n3 harmonic 68.89 91.19 # SOURCE3 1 0.0000
angle_coeff @angle:n3-s4-o harmonic 67.59 109.07 # SOURCE3 6 2.3605
angle_coeff @angle:n4-s4-n4 harmonic 60.39 94.61 # SOURCE3 1 0.0000
angle_coeff @angle:n4-s4-o harmonic 63.17 104.91 # SOURCE3 3 0.4370
angle_coeff @angle:na-s4-na harmonic 63.63 103.10 # SOURCE3 1
angle_coeff @angle:na-s4-o harmonic 66.52 109.75 # SOURCE3 10 2.6919
angle_coeff @angle:nh-s4-nh harmonic 68.96 92.24 # SOURCE3 1 0.0000
angle_coeff @angle:nh-s4-o harmonic 68.40 107.54 # SOURCE3 3 0.0401
angle_coeff @angle:n-s4-n harmonic 68.03 91.30 # SOURCE3 1
angle_coeff @angle:n-s4-o harmonic 68.09 105.70 # SOURCE3 4 1.6857
angle_coeff @angle:no-s4-no harmonic 63.55 83.40 # SOURCE3 1 0.0000
angle_coeff @angle:no-s4-o harmonic 62.93 103.58 # SOURCE3 3 1.5109
angle_coeff @angle:oh-s4-oh harmonic 69.00 100.34 # SOURCE3 1
angle_coeff @angle:o-s4-o harmonic 74.43 110.61 # SOURCE3 5 3.6413
angle_coeff @angle:o-s4-oh harmonic 69.42 110.13 # SOURCE4 10 0.5760
angle_coeff @angle:o-s4-os harmonic 69.67 109.02 # SOURCE3 8 1.5005
angle_coeff @angle:o-s4-p2 harmonic 76.18 106.77 # SOURCE3 1
angle_coeff @angle:o-s4-p3 harmonic 79.76 106.51 # SOURCE3 8 4.0943
angle_coeff @angle:o-s4-p4 harmonic 75.38 103.36 # SOURCE3 1
angle_coeff @angle:o-s4-p5 harmonic 85.32 96.95 # SOURCE3 1
angle_coeff @angle:o-s4-s4 harmonic 63.80 104.55 # SOURCE3 1
angle_coeff @angle:o-s4-s harmonic 61.69 112.22 # SOURCE3 4 2.8682
angle_coeff @angle:o-s4-s6 harmonic 64.33 102.84 # SOURCE3 1
angle_coeff @angle:o-s4-sh harmonic 60.56 107.51 # SOURCE3 3 0.7511
angle_coeff @angle:os-s4-os harmonic 71.26 93.68 # SOURCE3 2 2.4166
angle_coeff @angle:o-s4-ss harmonic 60.06 109.49 # SOURCE3 5 1.8509
angle_coeff @angle:p2-s4-p2 harmonic 98.20 92.62 # SOURCE3 1
angle_coeff @angle:p3-s4-p3 harmonic 101.37 95.71 # SOURCE3 2 1.2239
angle_coeff @angle:p5-s4-p5 harmonic 104.72 93.86 # SOURCE3 1
angle_coeff @angle:s4-s4-s4 harmonic 65.42 90.17 # SOURCE3 1
angle_coeff @angle:s4-s4-s6 harmonic 65.42 90.17 # SOURCE3 1
angle_coeff @angle:s6-s4-s6 harmonic 64.23 93.52 # SOURCE3 1
angle_coeff @angle:sh-s4-sh harmonic 58.79 102.76 # SOURCE3 1 0.0000
angle_coeff @angle:sh-s4-ss harmonic 58.85 102.64 # SOURCE3 1
angle_coeff @angle:s-s4-s harmonic 59.87 108.08 # SOURCE3 1 0.0000
angle_coeff @angle:ss-s4-ss harmonic 61.05 95.47 # SOURCE3 1 0.0000
angle_coeff @angle:br-s6-br harmonic 67.11 101.57 # SOURCE3 1 0.0000
angle_coeff @angle:br-s6-c3 harmonic 63.24 98.99 # SOURCE3 1 0.0000
angle_coeff @angle:br-s6-f harmonic 63.06 100.60 # SOURCE2 1 0.0000
angle_coeff @angle:br-s6-o harmonic 63.90 107.58 # SOURCE3 6 0.3000
angle_coeff @angle:c1-s6-c1 harmonic 64.09 99.99 # SOURCE3 1 0.0000
angle_coeff @angle:c1-s6-o harmonic 68.10 108.23 # SOURCE3 4 0.0000
angle_coeff @angle:c2-s6-c2 harmonic 61.86 102.75 # SOURCE3 1
angle_coeff @angle:c2-s6-c3 harmonic 61.23 104.05 # SOURCE3 1
angle_coeff @angle:c2-s6-o harmonic 67.53 106.58 # SOURCE3 1
angle_coeff @angle:c3-s6-c3 harmonic 61.35 102.83 # SOURCE3 7 1.2531
angle_coeff @angle:c3-s6-ca harmonic 61.51 103.17 # SOURCE3 1
angle_coeff @angle:c3-s6-cy harmonic 62.55 94.57 # SOURCE4 8 0.4183
angle_coeff @angle:c3-s6-f harmonic 65.73 97.11 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s6-hs harmonic 44.94 100.62 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s6-i harmonic 50.82 97.74 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s6-n2 harmonic 63.42 112.95 # SOURCE4 11 0.7920
angle_coeff @angle:c3-s6-n3 harmonic 65.71 101.38 # SOURCE4 60 0.9507
angle_coeff @angle:c3-s6-n harmonic 63.84 102.97 # SOURCE3 4 0.8785
angle_coeff @angle:c3-s6-n4 harmonic 61.33 99.40 # SOURCE3 3 0.4695
angle_coeff @angle:c3-s6-na harmonic 63.68 102.81 # SOURCE3 10 3.1256
angle_coeff @angle:c3-s6-nh harmonic 63.74 104.31 # SOURCE4 34 1.5848
angle_coeff @angle:c3-s6-no harmonic 60.08 99.57 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s6-o harmonic 66.59 108.32 # SOURCE3 112 1.8014
angle_coeff @angle:c3-s6-oh harmonic 67.71 98.60 # SOURCE4 42 0.8366
angle_coeff @angle:c3-s6-os harmonic 68.68 96.32 # SOURCE4 30 0.4539
angle_coeff @angle:c3-s6-p2 harmonic 72.54 106.47 # SOURCE3 1
angle_coeff @angle:c3-s6-p3 harmonic 76.24 103.40 # SOURCE3 3 0.8516
angle_coeff @angle:c3-s6-p4 harmonic 71.10 104.12 # SOURCE3 1
angle_coeff @angle:c3-s6-p5 harmonic 77.16 103.46 # SOURCE3 1
angle_coeff @angle:c3-s6-s4 harmonic 61.78 98.10 # SOURCE3 1
angle_coeff @angle:c3-s6-s harmonic 60.70 104.50 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s6-s6 harmonic 60.60 101.95 # SOURCE3 1
angle_coeff @angle:c3-s6-sh harmonic 60.07 101.84 # SOURCE3 1 0.0000
angle_coeff @angle:c3-s6-ss harmonic 59.68 102.47 # SOURCE3 3 1.7451
angle_coeff @angle:ca-s6-ca harmonic 61.80 103.08 # SOURCE3 1
angle_coeff @angle:ca-s6-o harmonic 68.37 104.07 # SOURCE4 59 0.5636
angle_coeff @angle:c-s6-c3 harmonic 60.12 101.24 # SOURCE3 1
angle_coeff @angle:c-s6-c harmonic 59.07 99.82 # SOURCE3 1
angle_coeff @angle:cc-s6-o harmonic 65.29 103.63 # SOURCE4 9 0.5934
angle_coeff @angle:cl-s6-cl harmonic 52.93 101.25 # SOURCE3 1 0.0000
angle_coeff @angle:cl-s6-f harmonic 57.88 99.00 # SOURCE2 1 0.0000
angle_coeff @angle:cl-s6-o harmonic 58.51 107.66 # SOURCE3 4 0.0000
angle_coeff @angle:c-s6-o harmonic 63.97 107.97 # SOURCE3 1
angle_coeff @angle:c-s6-os harmonic 64.36 102.12 # SOURCE3 1
angle_coeff @angle:cx-s6-cx harmonic 86.21 54.70 # SOURCE2 1 0.0000
angle_coeff @angle:cy-s6-o harmonic 63.83 110.22 # SOURCE4 20 1.1009
angle_coeff @angle:f-s6-f harmonic 70.81 94.70 # SOURCE2 3 0.9899
angle_coeff @angle:f-s6-o harmonic 72.38 106.48 # SOURCE3 2 0.0000
angle_coeff @angle:hs-s6-hs harmonic 35.84 99.02 # SOURCE3 2 0.0595
angle_coeff @angle:hs-s6-n1 harmonic 54.71 97.27 # HF/6-31G* 1
angle_coeff @angle:hs-s6-o harmonic 51.91 107.60 # SOURCE3 10 0.0343
angle_coeff @angle:i-s6-i harmonic 53.90 99.25 # SOURCE3 1
angle_coeff @angle:i-s6-o harmonic 47.73 109.74 # SOURCE3 2 0.0000
angle_coeff @angle:n1-s6-n1 harmonic 83.71 95.52 # HF/6-31G* 1
angle_coeff @angle:n1-s6-o harmonic 78.79 107.52 # HF/6-31G* 1
angle_coeff @angle:n2-s6-n2 harmonic 75.20 98.61 # SOURCE3 1
angle_coeff @angle:n2-s6-o harmonic 72.08 116.41 # SOURCE3 3 5.0830
angle_coeff @angle:n2-s6-oh harmonic 71.75 106.96 # SOURCE3 2 0.0000
angle_coeff @angle:n2-s6-os harmonic 73.30 103.25 # SOURCE3 1
angle_coeff @angle:n3-s6-n3 harmonic 71.49 98.57 # SOURCE4 7 0.2690
angle_coeff @angle:n3-s6-o harmonic 72.90 106.80 # SOURCE3 14 1.7908
angle_coeff @angle:n3-s6-os harmonic 72.84 99.26 # SOURCE4 8 0.5141
angle_coeff @angle:n4-s6-n4 harmonic 59.97 101.85 # SOURCE3 1 0.0000
angle_coeff @angle:n4-s6-o harmonic 65.83 102.92 # SOURCE3 10 1.5434
angle_coeff @angle:na-s6-na harmonic 67.74 98.04 # SOURCE3 1
angle_coeff @angle:na-s6-o harmonic 70.46 105.67 # SOURCE3 20 0.8019
angle_coeff @angle:nh-s6-nh harmonic 70.22 94.56 # SOURCE3 1 0.0000
angle_coeff @angle:nh-s6-o harmonic 70.23 109.12 # SOURCE3 6 0.9556
angle_coeff @angle:n-s6-n harmonic 66.18 104.16 # SOURCE3 1
angle_coeff @angle:n-s6-o harmonic 70.74 105.91 # SOURCE3 8 0.2953
angle_coeff @angle:no-s6-no harmonic 61.24 91.63 # SOURCE3 1 0.0000
angle_coeff @angle:no-s6-o harmonic 62.67 107.43 # SOURCE3 6 1.5494
angle_coeff @angle:n-s6-os harmonic 70.81 99.23 # SOURCE4 5 0.9794
angle_coeff @angle:oh-s6-oh harmonic 73.67 100.34 # SOURCE3 6 0.0076
angle_coeff @angle:oh-s6-os harmonic 75.33 96.62 # SOURCE4 26 0.6688
angle_coeff @angle:oh-s6-p2 harmonic 75.13 109.67 # SOURCE3 2 0.0000
angle_coeff @angle:o-s6-o harmonic 74.58 119.73 # SOURCE4 324 2.0530
angle_coeff @angle:o-s6-oh harmonic 74.13 108.21 # SOURCE3 18 0.7437
angle_coeff @angle:o-s6-os harmonic 74.58 107.84 # SOURCE3 12 0.7025
angle_coeff @angle:o-s6-p2 harmonic 76.65 106.61 # SOURCE3 1
angle_coeff @angle:o-s6-p3 harmonic 80.16 107.07 # SOURCE3 22 1.0550
angle_coeff @angle:o-s6-p4 harmonic 73.92 105.67 # SOURCE3 1
angle_coeff @angle:o-s6-p5 harmonic 81.69 106.64 # SOURCE3 1
angle_coeff @angle:o-s6-s4 harmonic 63.02 107.85 # SOURCE3 1
angle_coeff @angle:o-s6-s harmonic 63.52 110.29 # SOURCE3 6 2.2405
angle_coeff @angle:o-s6-s6 harmonic 63.55 106.07 # SOURCE3 1
angle_coeff @angle:o-s6-sh harmonic 62.53 106.81 # SOURCE3 6 0.6292
angle_coeff @angle:os-s6-os harmonic 74.80 98.70 # SOURCE3 1 0.0000
angle_coeff @angle:o-s6-ss harmonic 62.06 107.43 # SOURCE3 10 1.1423
angle_coeff @angle:p3-s6-p3 harmonic 94.93 110.17 # SOURCE3 4 5.3678
angle_coeff @angle:p5-s6-p5 harmonic 99.25 104.49 # SOURCE3 1
angle_coeff @angle:s4-s6-s4 harmonic 61.51 101.99 # SOURCE3 1
angle_coeff @angle:s4-s6-s6 harmonic 65.42 90.17 # SOURCE3 1
angle_coeff @angle:s6-s6-s6 harmonic 61.12 103.29 # SOURCE3 1
angle_coeff @angle:sh-s6-sh harmonic 59.41 106.43 # SOURCE3 1 0.0000
angle_coeff @angle:sh-s6-ss harmonic 60.36 102.64 # SOURCE3 1
angle_coeff @angle:s-s6-s harmonic 60.63 109.34 # SOURCE3 1 0.0000
angle_coeff @angle:ss-s6-ss harmonic 60.46 101.82 # SOURCE3 1 0.0000
angle_coeff @angle:br-sh-hs harmonic 43.54 95.64 # SOURCE3 1 0.0000
angle_coeff @angle:c1-sh-hs harmonic 48.23 95.99 # calculated_based_on_C#C-SH 0
angle_coeff @angle:c2-sh-hs harmonic 45.81 97.08 # SOURCE4 5 0.3132
angle_coeff @angle:c3-sh-hs harmonic 44.94 96.60 # SOURCE3 12 0.8009
angle_coeff @angle:ca-sh-hs harmonic 46.32 94.84 # SOURCE4 13 0.4130
angle_coeff @angle:cc-sh-hs harmonic 46.41 95.38 # SOURCE4 8 1.1410
angle_coeff @angle:c-sh-hs harmonic 45.96 96.07 # SOURCE3 6 1.1164
angle_coeff @angle:f-sh-hs harmonic 48.09 96.50 # SOURCE3 1 0.0000
angle_coeff @angle:hs-sh-hs harmonic 37.45 93.72 # SOURCE3 3 0.4777
angle_coeff @angle:hs-sh-i harmonic 37.09 96.44 # SOURCE3 1 0.0000
angle_coeff @angle:hs-sh-n1 harmonic 51.69 93.51 # HF/6-31G* 1
angle_coeff @angle:hs-sh-n2 harmonic 48.12 95.82 # SOURCE3 5 3.1495
angle_coeff @angle:hs-sh-n harmonic 48.41 95.59 # SOURCE3 4 3.9065
angle_coeff @angle:hs-sh-n3 harmonic 48.06 95.98 # SOURCE3 3 1.1735
angle_coeff @angle:hs-sh-n4 harmonic 47.15 93.13 # SOURCE3 3 0.1675
angle_coeff @angle:hs-sh-na harmonic 48.12 97.38 # SOURCE3 9 1.0223
angle_coeff @angle:hs-sh-nh harmonic 47.52 101.11 # SOURCE3 1 0.0000
angle_coeff @angle:hs-sh-no harmonic 47.35 92.93 # SOURCE3 1 0.0000
angle_coeff @angle:hs-sh-o harmonic 48.22 109.23 # SOURCE3 2 0.0068
angle_coeff @angle:hs-sh-oh harmonic 48.75 98.64 # SOURCE3 2 0.0605
angle_coeff @angle:hs-sh-os harmonic 49.35 98.15 # SOURCE3 3 0.1661
angle_coeff @angle:hs-sh-p2 harmonic 56.52 99.12 # SOURCE3 10 5.4110
angle_coeff @angle:hs-sh-p3 harmonic 53.11 95.81 # SOURCE3 3 0.4396
angle_coeff @angle:hs-sh-p4 harmonic 54.01 94.22 # SOURCE3 4 0.7605
angle_coeff @angle:hs-sh-p5 harmonic 54.80 94.52 # SOURCE3 3 0.5589
angle_coeff @angle:hs-sh-s harmonic 40.94 102.87 # SOURCE3 2 0.0000
angle_coeff @angle:hs-sh-s4 harmonic 42.04 92.16 # SOURCE3 3 1.6519
angle_coeff @angle:hs-sh-s6 harmonic 42.91 93.83 # SOURCE3 3 1.2561
angle_coeff @angle:hs-sh-sh harmonic 42.80 99.07 # SOURCE3 2 0.0000
angle_coeff @angle:hs-sh-ss harmonic 42.59 99.17 # SOURCE3 3 0.2457
angle_coeff @angle:br-ss-br harmonic 67.00 102.92 # SOURCE3 1 0.0000
angle_coeff @angle:br-ss-c3 harmonic 63.06 99.03 # SOURCE3 1 0.0000
angle_coeff @angle:c1-ss-c1 harmonic 66.30 98.30 # SOURCE2 1 0.0000
angle_coeff @angle:c1-ss-c3 harmonic 62.89 99.90 # SOURCE2 1 0.0000
angle_coeff @angle:c2-ss-c2 harmonic 63.71 99.56 # SOURCE3 1 0.0000
angle_coeff @angle:c2-ss-c3 harmonic 61.87 100.37 # SOURCE4 100 2.3280
angle_coeff @angle:c2-ss-cy harmonic 65.30 88.61 # SOURCE4 27 0.4481
angle_coeff @angle:c2-ss-n2 harmonic 64.45 106.76 # SOURCE3 1 0.0000
angle_coeff @angle:c2-ss-na harmonic 65.02 100.51 # SOURCE3 6 6.9702
angle_coeff @angle:c2-ss-os harmonic 69.78 89.76 # SOURCE3 1 0.0000
angle_coeff @angle:c2-ss-ss harmonic 64.78 92.26 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-c3 harmonic 60.63 99.92 # SOURCE3 14 2.0723
angle_coeff @angle:c3-ss-ca harmonic 60.80 102.12 # SOURCE4 161 1.3084
angle_coeff @angle:c3-ss-cc harmonic 61.74 100.75 # CORR 87
angle_coeff @angle:c3-ss-cd harmonic 61.74 100.75 # CORR 87
angle_coeff @angle:c3-ss-cl harmonic 56.40 99.40 # SOURCE2 1 0.0000
angle_coeff @angle:c3-ss-cy harmonic 61.94 94.32 # SOURCE4 62 0.3646
angle_coeff @angle:c3-ss-f harmonic 63.40 97.49 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-i harmonic 56.03 100.00 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-n1 harmonic 65.93 98.44 # HF/6-31G* 1
angle_coeff @angle:c3-ss-n2 harmonic 65.94 96.42 # SOURCE3 5 1.3604
angle_coeff @angle:c3-ss-n3 harmonic 64.10 98.83 # SOURCE3 3 0.2909
angle_coeff @angle:c3-ss-n harmonic 63.71 100.30 # SOURCE3 4 0.6579
angle_coeff @angle:c3-ss-n4 harmonic 62.94 97.79 # SOURCE3 3 0.2002
angle_coeff @angle:c3-ss-na harmonic 63.51 100.14 # SOURCE3 12 1.7415
angle_coeff @angle:c3-ss-nh harmonic 63.75 100.63 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-no harmonic 62.40 98.62 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-o harmonic 64.67 106.60 # SOURCE3 2 1.6714
angle_coeff @angle:c3-ss-oh harmonic 65.29 98.28 # SOURCE3 2 1.4326
angle_coeff @angle:c3-ss-os harmonic 64.97 98.21 # SOURCE3 4 1.7097
angle_coeff @angle:c3-ss-p2 harmonic 80.22 98.41 # SOURCE3 8 0.9454
angle_coeff @angle:c3-ss-p3 harmonic 76.29 98.70 # SOURCE3 3 0.0356
angle_coeff @angle:c3-ss-p4 harmonic 76.93 98.16 # SOURCE3 4 0.1361
angle_coeff @angle:c3-ss-p5 harmonic 75.86 100.22 # SOURCE4 23 1.1410
angle_coeff @angle:c3-ss-s4 harmonic 60.11 96.37 # SOURCE3 3 0.0202
angle_coeff @angle:c3-ss-s harmonic 59.94 101.90 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-s6 harmonic 60.94 96.76 # SOURCE3 3 1.5680
angle_coeff @angle:c3-ss-sh harmonic 60.36 101.93 # SOURCE3 1 0.0000
angle_coeff @angle:c3-ss-ss harmonic 60.34 103.10 # SOURCE4 70 1.3377
angle_coeff @angle:ca-ss-ca harmonic 62.76 98.71 # SOURCE4 97 1.2321
angle_coeff @angle:ca-ss-cc harmonic 66.53 89.47 # CORR 134
angle_coeff @angle:ca-ss-cd harmonic 66.53 89.47 # CORR 134
angle_coeff @angle:ca-ss-cl harmonic 56.45 101.05 # SOURCE3 1 0.0000
angle_coeff @angle:ca-ss-n harmonic 65.76 97.16 # SOURCE3 1
angle_coeff @angle:ca-ss-na harmonic 64.76 99.32 # SOURCE3 1
angle_coeff @angle:ca-ss-nc harmonic 69.21 94.76 # SOURCE3 1 0.0000
angle_coeff @angle:ca-ss-nd harmonic 69.21 94.76 # SOURCE3 1 same_as_ca-ss-nc
angle_coeff @angle:ca-ss-ss harmonic 60.39 104.90 # SOURCE4 19 0.8743
angle_coeff @angle:c-ss-c2 harmonic 65.63 92.43 # SOURCE3 1 0.0000
angle_coeff @angle:c-ss-c3 harmonic 61.48 100.29 # SOURCE3 5 2.2127
angle_coeff @angle:c-ss-c harmonic 62.20 101.40 # SOURCE3 1 0.0000
angle_coeff @angle:c-ss-cc harmonic 65.61 92.43 # SOURCE4 14 2.3600
angle_coeff @angle:cc-ss-cc harmonic 67.01 89.91 # SOURCE3 11 2.2164
angle_coeff @angle:cc-ss-cd harmonic 67.07 89.74 # SOURCE4 49 0.7509
angle_coeff @angle:cc-ss-n harmonic 66.42 97.16 # SOURCE3 1 same_as_cd-ss-n
angle_coeff @angle:cc-ss-na harmonic 65.39 99.33 # SOURCE3 18 same_as_cd-ss-na
angle_coeff @angle:cc-ss-nc harmonic 70.31 94.08 # CORR 13
angle_coeff @angle:cc-ss-os harmonic 66.48 98.81 # SOURCE3 2 2.1583
angle_coeff @angle:cc-ss-ss harmonic 63.91 94.76 # CORR 13
angle_coeff @angle:cd-ss-cd harmonic 67.01 89.91 # SOURCE3 11 2.2164
angle_coeff @angle:cd-ss-n harmonic 66.42 97.16 # SOURCE3 1 0.0000
angle_coeff @angle:cd-ss-na harmonic 65.39 99.33 # SOURCE3 18 2.5847
angle_coeff @angle:cd-ss-nd harmonic 70.31 94.08 # CORR 13
angle_coeff @angle:cd-ss-os harmonic 66.48 98.81 # SOURCE3 2 same_as_cc-ss-os
angle_coeff @angle:cd-ss-ss harmonic 63.91 94.76 # CORR 13
angle_coeff @angle:cl-ss-cl harmonic 52.39 103.37 # SOURCE3 1 0.0000
angle_coeff @angle:cx-ss-cx harmonic 87.49 48.30 # SOURCE2 1 0.0000
angle_coeff @angle:f-ss-f harmonic 66.18 98.30 # SOURCE2 1 0.0000
angle_coeff @angle:f-ss-ss harmonic 59.85 108.30 # SOURCE2 1 0.0000
angle_coeff @angle:i-ss-i harmonic 58.15 106.29 # SOURCE3 1 0.0000
angle_coeff @angle:n1-ss-n1 harmonic 73.07 96.96 # HF/6-31G* 1
angle_coeff @angle:n2-ss-n2 harmonic 71.12 96.75 # SOURCE3 1 0.0000
angle_coeff @angle:n3-ss-n3 harmonic 66.50 102.34 # SOURCE3 1 0.0000
angle_coeff @angle:n4-ss-n4 harmonic 63.55 101.19 # SOURCE3 1 0.0000
angle_coeff @angle:na-ss-na harmonic 65.92 102.81 # SOURCE3 1 0.0000
angle_coeff @angle:nc-ss-nc harmonic 75.03 97.94 # CORR 9
angle_coeff @angle:nd-ss-nd harmonic 75.03 97.94 # CORR 9
angle_coeff @angle:nh-ss-nh harmonic 65.30 107.89 # SOURCE3 1 0.0000
angle_coeff @angle:n-ss-n harmonic 66.45 103.10 # SOURCE3 1 0.0000
angle_coeff @angle:no-ss-no harmonic 61.43 106.43 # SOURCE3 1 0.0000
angle_coeff @angle:oh-ss-oh harmonic 68.23 104.25 # SOURCE3 1 0.0000
angle_coeff @angle:o-ss-o harmonic 69.80 119.30 # SOURCE2 1 0.0000
angle_coeff @angle:o-ss-p5 harmonic 78.64 106.41 # SOURCE3 1 0.0000
angle_coeff @angle:o-ss-s6 harmonic 62.35 105.39 # SOURCE3 1
angle_coeff @angle:os-ss-os harmonic 67.76 102.99 # SOURCE3 1 0.0000
angle_coeff @angle:o-ss-ss harmonic 62.04 112.70 # SOURCE2 1 0.0000
angle_coeff @angle:p2-ss-p2 harmonic 105.52 99.52 # SOURCE3 1 0.0000
angle_coeff @angle:p3-ss-p3 harmonic 96.77 101.67 # SOURCE3 1
angle_coeff @angle:p5-ss-p5 harmonic 103.25 89.83 # SOURCE3 1 0.0000
angle_coeff @angle:s4-ss-s4 harmonic 60.86 96.08 # SOURCE3 1 0.0000
angle_coeff @angle:s4-ss-s6 harmonic 59.93 101.26 # SOURCE3 1
angle_coeff @angle:s6-ss-s6 harmonic 60.46 101.81 # SOURCE3 1 0.0000
angle_coeff @angle:sh-ss-sh harmonic 60.28 107.54 # SOURCE3 1 0.0000
angle_coeff @angle:sh-ss-ss harmonic 60.81 106.53 # SOURCE3 1
angle_coeff @angle:s-ss-s harmonic 57.67 115.04 # SOURCE3 1
angle_coeff @angle:ss-ss-ss harmonic 60.44 108.76 # SOURCE4 8 0.2385
angle_coeff @angle:c3-sx-ca harmonic 61.85 96.41 # SOURCE4 13 0.3130
angle_coeff @angle:c3-sx-cc harmonic 62.52 95.11 # SOURCE4 17 0.6557
angle_coeff @angle:c3-sx-ce harmonic 62.82 94.95 # SOURCE3 3 0.0007
angle_coeff @angle:c3-sx-cf harmonic 62.82 94.95 # SOURCE3 3 same_as_c3-sx-ce
angle_coeff @angle:c3-sx-ne harmonic 65.33 90.06 # SOURCE3 5 1.9627
angle_coeff @angle:c3-sx-nf harmonic 65.33 90.06 # SOURCE3 5 same_as_c3-sx-ne
angle_coeff @angle:c3-sx-o harmonic 64.94 107.88 # SOURCE3 30 0.8721
angle_coeff @angle:c3-sx-pe harmonic 76.99 94.32 # SOURCE3 7 0.5547
angle_coeff @angle:c3-sx-pf harmonic 76.99 94.32 # SOURCE3 7 same_as_c3-sx-pe
angle_coeff @angle:c3-sx-px harmonic 74.26 96.46 # SOURCE3 3 1.3351
angle_coeff @angle:c3-sx-py harmonic 74.13 95.67 # SOURCE3 1 0.0000
angle_coeff @angle:c3-sx-sx harmonic 57.22 91.47 # SOURCE3 4 1.9919
angle_coeff @angle:c3-sx-sy harmonic 58.71 95.47 # SOURCE3 3 2.8422
angle_coeff @angle:ca-sx-ca harmonic 61.97 95.21 # SOURCE3 1 0.0000
angle_coeff @angle:ca-sx-o harmonic 64.82 106.89 # SOURCE4 25 0.5562
angle_coeff @angle:c-sx-c3 harmonic 62.01 92.71 # SOURCE3 3 0.3095
angle_coeff @angle:c-sx-c harmonic 62.83 86.85 # SOURCE3 1 0.0000
angle_coeff @angle:cc-sx-o harmonic 65.92 104.49 # SOURCE4 17 1.7759
angle_coeff @angle:ce-sx-ce harmonic 63.02 94.96 # SOURCE3 1 0.0000
angle_coeff @angle:ce-sx-o harmonic 65.38 107.47 # SOURCE3 5 0.3128
angle_coeff @angle:cf-sx-cf harmonic 63.02 94.96 # SOURCE3 1 same_as_ce-sx-ce
angle_coeff @angle:cf-sx-o harmonic 65.38 107.47 # SOURCE3 5 same_as_ce-sx-o
angle_coeff @angle:c-sx-o harmonic 63.47 106.17 # SOURCE3 5 0.9477
angle_coeff @angle:ne-sx-ne harmonic 66.37 90.17 # SOURCE3 1 0.0000
angle_coeff @angle:ne-sx-o harmonic 65.36 109.20 # SOURCE3 7 1.4542
angle_coeff @angle:nf-sx-nf harmonic 66.37 90.17 # SOURCE3 1 same_as_ne-sx-ne
angle_coeff @angle:nf-sx-o harmonic 65.36 109.20 # SOURCE3 7 same_as_ne-sx-o
angle_coeff @angle:o-sx-pe harmonic 77.00 106.43 # SOURCE3 9 2.8345
angle_coeff @angle:o-sx-pf harmonic 77.00 106.43 # SOURCE3 9 same_as_o-sx-pe
angle_coeff @angle:o-sx-px harmonic 75.16 104.77 # SOURCE3 3 1.9810
angle_coeff @angle:o-sx-py harmonic 73.10 109.13 # SOURCE3 7 5.6840
angle_coeff @angle:o-sx-sx harmonic 55.68 104.65 # SOURCE3 6 3.0524
angle_coeff @angle:o-sx-sy harmonic 59.44 103.41 # SOURCE3 5 0.9618
angle_coeff @angle:pe-sx-pe harmonic 99.19 92.62 # SOURCE3 1 0.0000
angle_coeff @angle:pf-sx-pf harmonic 99.19 92.62 # SOURCE3 1 same_as_pe-sx-pe
angle_coeff @angle:py-sx-py harmonic 110.11 69.23 # SOURCE3 3 17.4143
angle_coeff @angle:sx-sx-sx harmonic 58.65 84.90 # SOURCE3 1 0.0000
angle_coeff @angle:sy-sx-sy harmonic 59.25 93.52 # SOURCE3 1 0.0000
angle_coeff @angle:c3-sy-ca harmonic 60.74 103.86 # SOURCE4 54 0.3180
angle_coeff @angle:c3-sy-cc harmonic 61.24 102.19 # SOURCE4 12 1.5324
angle_coeff @angle:c3-sy-ce harmonic 60.79 103.81 # SOURCE3 3 0.3368
angle_coeff @angle:c3-sy-cf harmonic 60.79 103.81 # SOURCE3 3 same_as_c3-sy-ce
angle_coeff @angle:c3-sy-ne harmonic 63.01 103.12 # SOURCE3 5 4.1882
angle_coeff @angle:c3-sy-nf harmonic 63.01 103.12 # SOURCE3 5 same_as_c3-sy-ne
angle_coeff @angle:c3-sy-o harmonic 65.97 108.48 # SOURCE3 62 0.8576
angle_coeff @angle:c3-sy-pe harmonic 71.79 106.03 # SOURCE3 6 2.6117
angle_coeff @angle:c3-sy-pf harmonic 71.79 106.03 # SOURCE3 6 same_as_c3-sy-pe
angle_coeff @angle:c3-sy-px harmonic 71.71 103.62 # SOURCE3 3 0.7078
angle_coeff @angle:c3-sy-py harmonic 73.48 103.39 # SOURCE3 3 0.4563
angle_coeff @angle:c3-sy-sx harmonic 56.27 104.64 # SOURCE3 3 4.6276
angle_coeff @angle:c3-sy-sy harmonic 57.43 100.78 # SOURCE3 4 1.1633
angle_coeff @angle:ca-sy-ca harmonic 60.65 104.04 # SOURCE4 25 2.0762
angle_coeff @angle:ca-sy-cc harmonic 60.36 105.09 # SOURCE4 5 0.3628
angle_coeff @angle:ca-sy-n3 harmonic 64.10 102.48 # SOURCE4 180 1.0802
angle_coeff @angle:ca-sy-n harmonic 62.89 105.45 # SOURCE4 51 1.1497
angle_coeff @angle:ca-sy-ne harmonic 62.86 103.47 # SOURCE4 11 1.6071
angle_coeff @angle:ca-sy-nh harmonic 62.86 105.59 # SOURCE4 78 1.5805
angle_coeff @angle:ca-sy-o harmonic 65.84 108.73 # SOURCE3 26 1.2638
angle_coeff @angle:ca-sy-oh harmonic 65.64 101.25 # SOURCE4 23 0.9100
angle_coeff @angle:ca-sy-os harmonic 67.64 92.98 # SOURCE3 1 0.0000
angle_coeff @angle:c-sy-c3 harmonic 60.09 101.25 # SOURCE3 3 1.1850
angle_coeff @angle:c-sy-c harmonic 59.23 99.81 # SOURCE3 1 0.0000
angle_coeff @angle:cc-sy-n3 harmonic 64.10 102.54 # CORR 30
angle_coeff @angle:cc-sy-o harmonic 66.17 107.71 # CORR 100
angle_coeff @angle:cd-sy-n3 harmonic 64.10 102.54 # CORR 30
angle_coeff @angle:cd-sy-nh harmonic 65.53 97.20 # SOURCE4 6 0.2429
angle_coeff @angle:cd-sy-o harmonic 66.17 107.71 # CORR 100
angle_coeff @angle:ce-sy-ce harmonic 61.09 102.78 # SOURCE3 1 0.0000
angle_coeff @angle:ce-sy-o harmonic 66.35 107.25 # SOURCE3 10 0.5477
angle_coeff @angle:cf-sy-cf harmonic 61.09 102.78 # SOURCE3 1 same_as_ce-sy-ce
angle_coeff @angle:cf-sy-o harmonic 66.35 107.25 # SOURCE3 10 same_as_ce-sy-o
angle_coeff @angle:c-sy-o harmonic 64.07 107.23 # SOURCE3 10 0.8425
angle_coeff @angle:f-sy-o harmonic 63.64 105.60 # SOURCE4 7 0.2000
angle_coeff @angle:n2-sy-o harmonic 61.16 123.53 # SOURCE4 6 1.2388
angle_coeff @angle:n3-sy-ne harmonic 66.36 102.40 # SOURCE4 5 1.3390
angle_coeff @angle:n3-sy-o harmonic 70.45 107.11 # SOURCE4 375 1.1257
angle_coeff @angle:na-sy-na harmonic 67.74 98.04 # SOURCE3 1
angle_coeff @angle:nc-sy-nc harmonic 75.24 98.04 # SOURCE3 2
angle_coeff @angle:nd-sy-nd harmonic 75.24 98.04 # SOURCE3 2
angle_coeff @angle:ne-sy-ne harmonic 66.58 98.62 # SOURCE3 1 0.0000
angle_coeff @angle:ne-sy-o harmonic 68.89 107.06 # SOURCE3 14 2.2705
angle_coeff @angle:nf-sy-nf harmonic 66.58 98.62 # SOURCE3 1 same_as_ne-sy-ne
angle_coeff @angle:nf-sy-o harmonic 68.89 107.06 # SOURCE3 14 same_as_ne-sy-o
angle_coeff @angle:nh-sy-o harmonic 70.18 106.38 # SOURCE4 123 1.6517
angle_coeff @angle:n-sy-o harmonic 69.79 107.50 # SOURCE4 61 1.8720
angle_coeff @angle:o-sy-o harmonic 72.40 121.88 # SOURCE3 46 0.9495
angle_coeff @angle:o-sy-oh harmonic 72.26 106.93 # SOURCE3 8 0.7424
angle_coeff @angle:o-sy-os harmonic 70.39 108.31 # SOURCE4 7 0.1222
angle_coeff @angle:o-sy-pe harmonic 75.40 106.90 # SOURCE3 12 1.4524
angle_coeff @angle:o-sy-pf harmonic 75.40 106.90 # SOURCE3 12 same_as_o-sy-pe
angle_coeff @angle:o-sy-px harmonic 74.45 106.17 # SOURCE3 6 0.7059
angle_coeff @angle:o-sy-py harmonic 76.54 106.67 # SOURCE3 10 0.6478
angle_coeff @angle:o-sy-sx harmonic 58.62 106.33 # SOURCE3 10 2.0456
angle_coeff @angle:o-sy-sy harmonic 58.79 106.19 # SOURCE3 12 0.1754
angle_coeff @angle:py-sy-py harmonic 92.79 104.49 # SOURCE3 1 0.0000
angle_coeff @angle:sx-sy-sx harmonic 56.74 101.99 # SOURCE3 1 0.0000
angle_coeff @angle:sy-sy-sy harmonic 56.50 103.29 # SOURCE3 1 0.0000
angle_coeff @angle:c2-c1-cf harmonic 58.18 179.01 # NEW 6
angle_coeff @angle:c3-c1-ch harmonic 55.79 178.52 # NEW 39
angle_coeff @angle:nf-c1-s harmonic 57.59 175.81 # NEW 8
angle_coeff @angle:br-c2-cf harmonic 63.21 121.59 # NEW 7
angle_coeff @angle:cd-c2-h4 harmonic 49.19 120.33 # NEW 7
angle_coeff @angle:cd-c2-nh harmonic 69.46 122.96 # NEW 10
angle_coeff @angle:cd-c2-o harmonic 72.80 123.59 # NEW 6
angle_coeff @angle:cf-c2-cl harmonic 58.06 123.90 # NEW 11
angle_coeff @angle:cf-c2-h4 harmonic 49.38 122.29 # NEW 75
angle_coeff @angle:cf-c2-na harmonic 68.82 123.71 # NEW 6
angle_coeff @angle:cf-c2-nh harmonic 70.64 120.72 # NEW 93
angle_coeff @angle:cf-c2-no harmonic 68.45 119.65 # NEW 5
angle_coeff @angle:cf-c2-o harmonic 73.66 123.08 # NEW 5
angle_coeff @angle:cf-c2-oh harmonic 70.90 123.27 # NEW 42
angle_coeff @angle:cf-c2-os harmonic 70.47 122.52 # NEW 51
angle_coeff @angle:h4-c2-nf harmonic 52.87 119.63 # NEW 10
angle_coeff @angle:h5-c2-nf harmonic 52.76 119.62 # NEW 17
angle_coeff @angle:nf-c2-os harmonic 74.86 118.76 # NEW 5
angle_coeff @angle:nf-c2-ss harmonic 65.41 120.06 # NEW 9
angle_coeff @angle:n-c2-nf harmonic 70.89 125.38 # NEW 10
angle_coeff @angle:ca-c3-cf harmonic 63.81 112.33 # NEW 51
angle_coeff @angle:cd-c3-cx harmonic 63.85 112.55 # NEW 5
angle_coeff @angle:c-c3-cf harmonic 64.02 111.98 # NEW 16
angle_coeff @angle:cd-c3-hx harmonic 47.17 111.02 # NEW 9
angle_coeff @angle:cd-c3-n2 harmonic 66.85 110.47 # NEW 11
angle_coeff @angle:cd-c3-n4 harmonic 64.88 115.58 # NEW 6
angle_coeff @angle:cd-c3-na harmonic 66.43 113.39 # NEW 8
angle_coeff @angle:cd-c3-p5 harmonic 76.89 116.23 # NEW 6
angle_coeff @angle:cf-c3-cf harmonic 64.24 111.44 # NEW 18
angle_coeff @angle:cf-c3-n harmonic 67.09 110.41 # NEW 6
angle_coeff @angle:cf-c3-oh harmonic 68.00 111.05 # NEW 17
angle_coeff @angle:cf-c3-os harmonic 68.64 108.10 # NEW 16
angle_coeff @angle:cf-c3-ss harmonic 61.87 111.10 # NEW 7
angle_coeff @angle:cd-ca-cq harmonic 64.63 124.30 # NEW 10
angle_coeff @angle:cf-ca-na harmonic 67.44 119.85 # NEW 9
angle_coeff @angle:ch-ca-cq harmonic 65.26 121.53 # NEW 12
angle_coeff @angle:cl-ca-cq harmonic 58.19 120.31 # NEW 18
angle_coeff @angle:cq-ca-f harmonic 67.10 119.39 # NEW 16
angle_coeff @angle:cq-ca-h4 harmonic 48.15 120.03 # NEW 27
angle_coeff @angle:cq-ca-na harmonic 72.91 108.79 # NEW 165
angle_coeff @angle:cq-ca-nb harmonic 68.56 123.72 # NEW 50
angle_coeff @angle:cq-ca-nh harmonic 68.66 121.52 # NEW 11
angle_coeff @angle:cq-ca-oh harmonic 69.26 120.96 # NEW 12
angle_coeff @angle:cq-ca-ss harmonic 63.87 112.75 # NEW 8
angle_coeff @angle:ca-c-nf harmonic 67.74 114.39 # NEW 5
angle_coeff @angle:br-cd-c harmonic 63.98 115.68 # NEW 8
angle_coeff @angle:br-cd-cd harmonic 61.82 124.89 # NEW 8
angle_coeff @angle:br-cd-cc harmonic 62.26 124.56 # NEW 32
angle_coeff @angle:br-cd-na harmonic 64.60 121.42 # NEW 6
angle_coeff @angle:ca-cd-cf harmonic 62.51 127.87 # NEW 11
angle_coeff @angle:ca-cd-nh harmonic 67.46 122.45 # NEW 9
angle_coeff @angle:cd-c-cf harmonic 64.64 115.68 # NEW 6
angle_coeff @angle:cd-cd-f harmonic 66.35 119.41 # NEW 7
angle_coeff @angle:c-cd-ch harmonic 64.98 118.14 # NEW 7
angle_coeff @angle:cd-cd-sy harmonic 59.22 128.36 # NEW 8
angle_coeff @angle:cc-cd-f harmonic 67.42 121.08 # NEW 28
angle_coeff @angle:cc-cd-no harmonic 65.78 128.95 # NEW 117
angle_coeff @angle:c-cd-f harmonic 66.16 116.87 # NEW 16
angle_coeff @angle:ch-cd-na harmonic 67.51 122.35 # NEW 5
angle_coeff @angle:ch-cd-ss harmonic 62.33 120.70 # NEW 12
angle_coeff @angle:cd-c-h4 harmonic 47.13 115.45 # NEW 5
angle_coeff @angle:cl-cd-na harmonic 59.37 121.61 # NEW 12
angle_coeff @angle:cl-cd-ss harmonic 58.09 119.85 # NEW 11
angle_coeff @angle:c-cd-nf harmonic 67.11 119.88 # NEW 6
angle_coeff @angle:cd-c-s harmonic 61.67 127.94 # NEW 12
angle_coeff @angle:cd-c-ss harmonic 63.47 112.52 # NEW 10
angle_coeff @angle:cx-cd-nc harmonic 65.61 127.75 # NEW 12
angle_coeff @angle:cx-cd-os harmonic 67.94 118.08 # NEW 10
angle_coeff @angle:cc-c-cx harmonic 63.88 117.46 # NEW 13
angle_coeff @angle:cc-c-nc harmonic 68.65 113.75 # NEW 14
angle_coeff @angle:cf-c-cx harmonic 63.95 116.25 # NEW 6
angle_coeff @angle:cf-c-h4 harmonic 46.93 114.88 # NEW 19
angle_coeff @angle:cf-c-ss harmonic 63.94 110.39 # NEW 5
angle_coeff @angle:na-cd-no harmonic 68.48 124.90 # NEW 48
angle_coeff @angle:na-cd-oh harmonic 73.25 117.26 # NEW 16
angle_coeff @angle:na-cd-sx harmonic 63.25 117.04 # NEW 13
angle_coeff @angle:na-cd-sy harmonic 63.13 120.55 # NEW 7
angle_coeff @angle:nd-cd-no harmonic 69.31 121.54 # NEW 7
angle_coeff @angle:nc-cd-nc harmonic 70.88 128.17 # NEW 7
angle_coeff @angle:nc-cd-nf harmonic 69.29 129.66 # NEW 7
angle_coeff @angle:nc-cd-no harmonic 69.90 122.68 # NEW 16
angle_coeff @angle:nc-cd-sh harmonic 62.75 124.92 # NEW 5
angle_coeff @angle:nc-cd-sx harmonic 60.81 127.60 # NEW 14
angle_coeff @angle:nc-cd-sy harmonic 62.75 123.08 # NEW 13
angle_coeff @angle:nf-cd-ss harmonic 65.39 116.99 # NEW 7
angle_coeff @angle:n-cd-n2 harmonic 74.78 114.48 # NEW 15
angle_coeff @angle:no-cd-os harmonic 71.01 117.59 # NEW 62
angle_coeff @angle:no-cd-ss harmonic 63.76 121.10 # NEW 10
angle_coeff @angle:ca-cc-cf harmonic 65.09 125.10 # NEW 9
angle_coeff @angle:ca-cc-na harmonic 67.03 123.45 # NEW 39
angle_coeff @angle:cd-cc-cg harmonic 64.92 126.05 # NEW 30
angle_coeff @angle:cd-cc-cy harmonic 63.93 122.13 # NEW 10
angle_coeff @angle:cd-cc-nd harmonic 69.42 123.82 # NEW 14
angle_coeff @angle:cc-cc-cy harmonic 63.17 120.93 # NEW 6
angle_coeff @angle:cf-cc-nc harmonic 68.22 124.90 # NEW 5
angle_coeff @angle:c-cc-h4 harmonic 46.77 118.19 # NEW 8
angle_coeff @angle:na-cc-nh harmonic 72.43 116.98 # NEW 46
angle_coeff @angle:na-cc-ss harmonic 67.07 111.46 # NEW 20
angle_coeff @angle:nc-cc-nc harmonic 69.47 125.58 # NEW 13
angle_coeff @angle:oh-cc-os harmonic 75.54 111.61 # NEW 6
angle_coeff @angle:c2-cf-cl harmonic 57.87 119.51 # NEW 24
angle_coeff @angle:c2-cf-h4 harmonic 48.64 125.58 # NEW 11
angle_coeff @angle:c2-cf-n1 harmonic 72.67 117.85 # NEW 7
angle_coeff @angle:c2-cf-na harmonic 69.29 119.19 # NEW 5
angle_coeff @angle:c2-cf-oh harmonic 70.32 123.78 # NEW 10
angle_coeff @angle:c3-cf-ch harmonic 63.79 118.48 # NEW 8
angle_coeff @angle:c3-cf-ne harmonic 67.26 120.75 # NEW 6
angle_coeff @angle:c3-cf-nh harmonic 65.76 119.90 # NEW 5
angle_coeff @angle:ca-cf-cf harmonic 63.84 119.62 # NEW 14
angle_coeff @angle:ca-cf-cl harmonic 57.99 114.22 # NEW 6
angle_coeff @angle:ca-cf-h4 harmonic 46.71 116.86 # NEW 74
angle_coeff @angle:ca-cf-nh harmonic 67.87 115.51 # NEW 93
angle_coeff @angle:ca-cf-os harmonic 68.60 115.58 # NEW 8
angle_coeff @angle:ca-cf-ss harmonic 61.21 117.73 # NEW 5
angle_coeff @angle:c-cf-ca harmonic 63.79 117.98 # NEW 8
angle_coeff @angle:cd-cf-cc harmonic 63.28 130.36 # NEW 5
angle_coeff @angle:c-cf-cf harmonic 63.46 120.89 # NEW 16
angle_coeff @angle:c-cf-ch harmonic 64.57 118.32 # NEW 15
angle_coeff @angle:cd-cf-h4 harmonic 47.52 115.40 # NEW 29
angle_coeff @angle:c-cf-cl harmonic 57.67 115.40 # NEW 6
angle_coeff @angle:cd-cf-nh harmonic 67.31 119.17 # NEW 8
angle_coeff @angle:c-cf-cy harmonic 72.72 88.22 # NEW 19
angle_coeff @angle:cf-cf-cl harmonic 57.29 117.93 # NEW 12
angle_coeff @angle:cf-cf-oh harmonic 69.29 116.89 # NEW 11
angle_coeff @angle:ce-cf-cy harmonic 60.53 137.74 # NEW 13
angle_coeff @angle:ce-cf-h4 harmonic 49.02 123.76 # NEW 5
angle_coeff @angle:ce-cf-n1 harmonic 72.03 120.03 # NEW 6
angle_coeff @angle:ce-cf-nh harmonic 69.48 121.52 # NEW 12
angle_coeff @angle:ch-cf-n2 harmonic 69.59 121.43 # NEW 6
angle_coeff @angle:c-cf-oh harmonic 68.34 117.92 # NEW 5
angle_coeff @angle:c-cf-os harmonic 69.09 113.78 # NEW 21
angle_coeff @angle:h4-cf-n1 harmonic 52.58 116.36 # NEW 7
angle_coeff @angle:h4-cf-nf harmonic 49.72 115.81 # NEW 7
angle_coeff @angle:n2-cf-os harmonic 74.58 118.13 # NEW 6
angle_coeff @angle:n2-cf-ss harmonic 64.40 117.23 # NEW 6
angle_coeff @angle:nf-cf-nh harmonic 71.89 112.91 # NEW 12
angle_coeff @angle:ne-cf-nh harmonic 73.31 118.13 # NEW 6
angle_coeff @angle:ca-ce-cd harmonic 62.70 130.80 # NEW 12
angle_coeff @angle:c-ce-cc harmonic 64.25 117.76 # NEW 10
angle_coeff @angle:c-ce-n2 harmonic 70.16 114.88 # NEW 5
angle_coeff @angle:h4-ce-nf harmonic 52.29 120.21 # NEW 6
angle_coeff @angle:c1-ch-cd harmonic 56.97 178.60 # NEW 6
angle_coeff @angle:ch-cg-cg harmonic 58.68 179.67 # NEW 7
angle_coeff @angle:n-c-nf harmonic 74.43 110.37 # NEW 10
angle_coeff @angle:ca-cq-na harmonic 68.78 119.43 # NEW 21
angle_coeff @angle:nb-cq-nb harmonic 71.31 125.72 # NEW 5
angle_coeff @angle:cd-cx-hc harmonic 47.37 113.84 # NEW 15
angle_coeff @angle:cf-cy-h2 harmonic 45.50 117.25 # NEW 17
angle_coeff @angle:cf-cy-n harmonic 74.69 88.02 # NEW 14
angle_coeff @angle:cf-cy-ss harmonic 58.47 121.33 # NEW 13
angle_coeff @angle:cd-n2-na harmonic 73.01 108.92 # NEW 9
angle_coeff @angle:cd-n2-nh harmonic 70.37 118.47 # NEW 6
angle_coeff @angle:c3-n4-cd harmonic 62.84 111.09 # NEW 7
angle_coeff @angle:c3-na-cq harmonic 63.76 119.46 # NEW 7
angle_coeff @angle:ca-na-cq harmonic 65.88 120.96 # NEW 20
angle_coeff @angle:cd-na-cf harmonic 63.05 126.61 # NEW 8
angle_coeff @angle:cq-nb-nb harmonic 68.79 121.11 # NEW 12
angle_coeff @angle:c-n-cf harmonic 62.21 131.83 # NEW 146
angle_coeff @angle:ca-nc-nd harmonic 73.55 108.41 # NEW 9
angle_coeff @angle:c2-nf-ch harmonic 68.36 123.58 # NEW 12
angle_coeff @angle:c-nf-sy harmonic 61.66 116.05 # NEW 6
angle_coeff @angle:c3-nh-ce harmonic 63.47 119.92 # NEW 20
angle_coeff @angle:cd-nh-n2 harmonic 68.23 119.66 # NEW 5
angle_coeff @angle:cd-nh-sy harmonic 61.22 122.91 # NEW 23
angle_coeff @angle:cf-nh-sy harmonic 63.58 112.97 # NEW 7
angle_coeff @angle:hn-n-nd harmonic 50.74 115.24 # NEW 10
angle_coeff @angle:cd-no-o harmonic 70.34 117.52 # NEW 198
angle_coeff @angle:n3-py-nf harmonic 41.93 108.44 # NEW 12
angle_coeff @angle:cd-s6-o harmonic 70.23 103.63 # NEW 9
angle_coeff @angle:cd-sh-hs harmonic 46.41 95.38 # NEW 8
angle_coeff @angle:c-ss-cd harmonic 65.61 92.43 # NEW 14
angle_coeff @angle:c3-sx-cd harmonic 62.52 95.11 # NEW 17
angle_coeff @angle:cd-sx-o harmonic 65.92 104.49 # NEW 17
angle_coeff @angle:c3-sy-cd harmonic 61.24 102.19 # NEW 12
angle_coeff @angle:ca-sy-cd harmonic 60.36 105.09 # NEW 5
angle_coeff @angle:ca-sy-nf harmonic 62.86 103.47 # NEW 11
angle_coeff @angle:cc-sy-nh harmonic 65.53 97.20 # NEW 6
angle_coeff @angle:n3-sy-nf harmonic 66.36 102.40 # NEW 5
} # (end of angle_coeffs)
write_once("Data Angles By Type") {
@angle:hw-ow-hw @atom:hw @atom:ow @atom:hw
@angle:hw-hw-ow @atom:hw @atom:hw @atom:ow
@angle:br-c1-br @atom:br @atom:c1 @atom:br
@angle:br-c1-c1 @atom:br @atom:c1 @atom:c1
@angle:c1-c1-c1 @atom:c1 @atom:c1 @atom:c1
@angle:c1-c1-c2 @atom:c1 @atom:c1 @atom:c2
@angle:c1-c1-c3 @atom:c1 @atom:c1 @atom:c3
@angle:c1-c1-ca @atom:c1 @atom:c1 @atom:ca
@angle:c1-c1-cl @atom:c1 @atom:c1 @atom:cl
@angle:c1-c1-f @atom:c1 @atom:c1 @atom:f
@angle:c1-c1-ha @atom:c1 @atom:c1 @atom:ha
@angle:c1-c1-hc @atom:c1 @atom:c1 @atom:hc
@angle:c1-c1-i @atom:c1 @atom:c1 @atom:i
@angle:c1-c1-n1 @atom:c1 @atom:c1 @atom:n1
@angle:c1-c1-n2 @atom:c1 @atom:c1 @atom:n2
@angle:c1-c1-n3 @atom:c1 @atom:c1 @atom:n3
@angle:c1-c1-n4 @atom:c1 @atom:c1 @atom:n4
@angle:c1-c1-n @atom:c1 @atom:c1 @atom:n
@angle:c1-c1-na @atom:c1 @atom:c1 @atom:na
@angle:c1-c1-nh @atom:c1 @atom:c1 @atom:nh
@angle:c1-c1-no @atom:c1 @atom:c1 @atom:no
@angle:c1-c1-o @atom:c1 @atom:c1 @atom:o
@angle:c1-c1-oh @atom:c1 @atom:c1 @atom:oh
@angle:c1-c1-os @atom:c1 @atom:c1 @atom:os
@angle:c1-c1-p2 @atom:c1 @atom:c1 @atom:p2
@angle:c1-c1-p3 @atom:c1 @atom:c1 @atom:p3
@angle:c1-c1-p4 @atom:c1 @atom:c1 @atom:p4
@angle:c1-c1-p5 @atom:c1 @atom:c1 @atom:p5
@angle:c1-c1-s4 @atom:c1 @atom:c1 @atom:s4
@angle:c1-c1-s6 @atom:c1 @atom:c1 @atom:s6
@angle:c1-c1-s @atom:c1 @atom:c1 @atom:s
@angle:c1-c1-sh @atom:c1 @atom:c1 @atom:sh
@angle:c1-c1-ss @atom:c1 @atom:c1 @atom:ss
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@angle:cf-c2-os @atom:cf @atom:c2 @atom:os
@angle:h4-c2-nf @atom:h4 @atom:c2 @atom:nf
@angle:h5-c2-nf @atom:h5 @atom:c2 @atom:nf
@angle:nf-c2-os @atom:nf @atom:c2 @atom:os
@angle:nf-c2-ss @atom:nf @atom:c2 @atom:ss
@angle:n-c2-nf @atom:n @atom:c2 @atom:nf
@angle:ca-c3-cf @atom:ca @atom:c3 @atom:cf
@angle:cd-c3-cx @atom:cd @atom:c3 @atom:cx
@angle:c-c3-cf @atom:c @atom:c3 @atom:cf
@angle:cd-c3-hx @atom:cd @atom:c3 @atom:hx
@angle:cd-c3-n2 @atom:cd @atom:c3 @atom:n2
@angle:cd-c3-n4 @atom:cd @atom:c3 @atom:n4
@angle:cd-c3-na @atom:cd @atom:c3 @atom:na
@angle:cd-c3-p5 @atom:cd @atom:c3 @atom:p5
@angle:cf-c3-cf @atom:cf @atom:c3 @atom:cf
@angle:cf-c3-n @atom:cf @atom:c3 @atom:n
@angle:cf-c3-oh @atom:cf @atom:c3 @atom:oh
@angle:cf-c3-os @atom:cf @atom:c3 @atom:os
@angle:cf-c3-ss @atom:cf @atom:c3 @atom:ss
@angle:cd-ca-cq @atom:cd @atom:ca @atom:cq
@angle:cf-ca-na @atom:cf @atom:ca @atom:na
@angle:ch-ca-cq @atom:ch @atom:ca @atom:cq
@angle:cl-ca-cq @atom:cl @atom:ca @atom:cq
@angle:cq-ca-f @atom:cq @atom:ca @atom:f
@angle:cq-ca-h4 @atom:cq @atom:ca @atom:h4
@angle:cq-ca-na @atom:cq @atom:ca @atom:na
@angle:cq-ca-nb @atom:cq @atom:ca @atom:nb
@angle:cq-ca-nh @atom:cq @atom:ca @atom:nh
@angle:cq-ca-oh @atom:cq @atom:ca @atom:oh
@angle:cq-ca-ss @atom:cq @atom:ca @atom:ss
@angle:ca-c-nf @atom:ca @atom:c @atom:nf
@angle:br-cd-c @atom:br @atom:cd @atom:c
@angle:br-cd-cd @atom:br @atom:cd @atom:cd
@angle:br-cd-cc @atom:br @atom:cd @atom:cc
@angle:br-cd-na @atom:br @atom:cd @atom:na
@angle:ca-cd-cf @atom:ca @atom:cd @atom:cf
@angle:ca-cd-nh @atom:ca @atom:cd @atom:nh
@angle:cd-c-cf @atom:cd @atom:c @atom:cf
@angle:cd-cd-f @atom:cd @atom:cd @atom:f
@angle:c-cd-ch @atom:c @atom:cd @atom:ch
@angle:cd-cd-sy @atom:cd @atom:cd @atom:sy
@angle:cc-cd-f @atom:cc @atom:cd @atom:f
@angle:cc-cd-no @atom:cc @atom:cd @atom:no
@angle:c-cd-f @atom:c @atom:cd @atom:f
@angle:ch-cd-na @atom:ch @atom:cd @atom:na
@angle:ch-cd-ss @atom:ch @atom:cd @atom:ss
@angle:cd-c-h4 @atom:cd @atom:c @atom:h4
@angle:cl-cd-na @atom:cl @atom:cd @atom:na
@angle:cl-cd-ss @atom:cl @atom:cd @atom:ss
@angle:c-cd-nf @atom:c @atom:cd @atom:nf
@angle:cd-c-s @atom:cd @atom:c @atom:s
@angle:cd-c-ss @atom:cd @atom:c @atom:ss
@angle:cx-cd-nc @atom:cx @atom:cd @atom:nc
@angle:cx-cd-os @atom:cx @atom:cd @atom:os
@angle:cc-c-cx @atom:cc @atom:c @atom:cx
@angle:cc-c-nc @atom:cc @atom:c @atom:nc
@angle:cf-c-cx @atom:cf @atom:c @atom:cx
@angle:cf-c-h4 @atom:cf @atom:c @atom:h4
@angle:cf-c-ss @atom:cf @atom:c @atom:ss
@angle:na-cd-no @atom:na @atom:cd @atom:no
@angle:na-cd-oh @atom:na @atom:cd @atom:oh
@angle:na-cd-sx @atom:na @atom:cd @atom:sx
@angle:na-cd-sy @atom:na @atom:cd @atom:sy
@angle:nd-cd-no @atom:nd @atom:cd @atom:no
@angle:nc-cd-nc @atom:nc @atom:cd @atom:nc
@angle:nc-cd-nf @atom:nc @atom:cd @atom:nf
@angle:nc-cd-no @atom:nc @atom:cd @atom:no
@angle:nc-cd-sh @atom:nc @atom:cd @atom:sh
@angle:nc-cd-sx @atom:nc @atom:cd @atom:sx
@angle:nc-cd-sy @atom:nc @atom:cd @atom:sy
@angle:nf-cd-ss @atom:nf @atom:cd @atom:ss
@angle:n-cd-n2 @atom:n @atom:cd @atom:n2
@angle:no-cd-os @atom:no @atom:cd @atom:os
@angle:no-cd-ss @atom:no @atom:cd @atom:ss
@angle:ca-cc-cf @atom:ca @atom:cc @atom:cf
@angle:ca-cc-na @atom:ca @atom:cc @atom:na
@angle:cd-cc-cg @atom:cd @atom:cc @atom:cg
@angle:cd-cc-cy @atom:cd @atom:cc @atom:cy
@angle:cd-cc-nd @atom:cd @atom:cc @atom:nd
@angle:cc-cc-cy @atom:cc @atom:cc @atom:cy
@angle:cf-cc-nc @atom:cf @atom:cc @atom:nc
@angle:c-cc-h4 @atom:c @atom:cc @atom:h4
@angle:na-cc-nh @atom:na @atom:cc @atom:nh
@angle:na-cc-ss @atom:na @atom:cc @atom:ss
@angle:nc-cc-nc @atom:nc @atom:cc @atom:nc
@angle:oh-cc-os @atom:oh @atom:cc @atom:os
@angle:c2-cf-cl @atom:c2 @atom:cf @atom:cl
@angle:c2-cf-h4 @atom:c2 @atom:cf @atom:h4
@angle:c2-cf-n1 @atom:c2 @atom:cf @atom:n1
@angle:c2-cf-na @atom:c2 @atom:cf @atom:na
@angle:c2-cf-oh @atom:c2 @atom:cf @atom:oh
@angle:c3-cf-ch @atom:c3 @atom:cf @atom:ch
@angle:c3-cf-ne @atom:c3 @atom:cf @atom:ne
@angle:c3-cf-nh @atom:c3 @atom:cf @atom:nh
@angle:ca-cf-cf @atom:ca @atom:cf @atom:cf
@angle:ca-cf-cl @atom:ca @atom:cf @atom:cl
@angle:ca-cf-h4 @atom:ca @atom:cf @atom:h4
@angle:ca-cf-nh @atom:ca @atom:cf @atom:nh
@angle:ca-cf-os @atom:ca @atom:cf @atom:os
@angle:ca-cf-ss @atom:ca @atom:cf @atom:ss
@angle:c-cf-ca @atom:c @atom:cf @atom:ca
@angle:cd-cf-cc @atom:cd @atom:cf @atom:cc
@angle:c-cf-cf @atom:c @atom:cf @atom:cf
@angle:c-cf-ch @atom:c @atom:cf @atom:ch
@angle:cd-cf-h4 @atom:cd @atom:cf @atom:h4
@angle:c-cf-cl @atom:c @atom:cf @atom:cl
@angle:cd-cf-nh @atom:cd @atom:cf @atom:nh
@angle:c-cf-cy @atom:c @atom:cf @atom:cy
@angle:cf-cf-cl @atom:cf @atom:cf @atom:cl
@angle:cf-cf-oh @atom:cf @atom:cf @atom:oh
@angle:ce-cf-cy @atom:ce @atom:cf @atom:cy
@angle:ce-cf-h4 @atom:ce @atom:cf @atom:h4
@angle:ce-cf-n1 @atom:ce @atom:cf @atom:n1
@angle:ce-cf-nh @atom:ce @atom:cf @atom:nh
@angle:ch-cf-n2 @atom:ch @atom:cf @atom:n2
@angle:c-cf-oh @atom:c @atom:cf @atom:oh
@angle:c-cf-os @atom:c @atom:cf @atom:os
@angle:h4-cf-n1 @atom:h4 @atom:cf @atom:n1
@angle:h4-cf-nf @atom:h4 @atom:cf @atom:nf
@angle:n2-cf-os @atom:n2 @atom:cf @atom:os
@angle:n2-cf-ss @atom:n2 @atom:cf @atom:ss
@angle:nf-cf-nh @atom:nf @atom:cf @atom:nh
@angle:ne-cf-nh @atom:ne @atom:cf @atom:nh
@angle:ca-ce-cd @atom:ca @atom:ce @atom:cd
@angle:c-ce-cc @atom:c @atom:ce @atom:cc
@angle:c-ce-n2 @atom:c @atom:ce @atom:n2
@angle:h4-ce-nf @atom:h4 @atom:ce @atom:nf
@angle:c1-ch-cd @atom:c1 @atom:ch @atom:cd
@angle:ch-cg-cg @atom:ch @atom:cg @atom:cg
@angle:n-c-nf @atom:n @atom:c @atom:nf
@angle:ca-cq-na @atom:ca @atom:cq @atom:na
@angle:nb-cq-nb @atom:nb @atom:cq @atom:nb
@angle:cd-cx-hc @atom:cd @atom:cx @atom:hc
@angle:cf-cy-h2 @atom:cf @atom:cy @atom:h2
@angle:cf-cy-n @atom:cf @atom:cy @atom:n
@angle:cf-cy-ss @atom:cf @atom:cy @atom:ss
@angle:cd-n2-na @atom:cd @atom:n2 @atom:na
@angle:cd-n2-nh @atom:cd @atom:n2 @atom:nh
@angle:c3-n4-cd @atom:c3 @atom:n4 @atom:cd
@angle:c3-na-cq @atom:c3 @atom:na @atom:cq
@angle:ca-na-cq @atom:ca @atom:na @atom:cq
@angle:cd-na-cf @atom:cd @atom:na @atom:cf
@angle:cq-nb-nb @atom:cq @atom:nb @atom:nb
@angle:c-n-cf @atom:c @atom:n @atom:cf
@angle:ca-nc-nd @atom:ca @atom:nc @atom:nd
@angle:c2-nf-ch @atom:c2 @atom:nf @atom:ch
@angle:c-nf-sy @atom:c @atom:nf @atom:sy
@angle:c3-nh-ce @atom:c3 @atom:nh @atom:ce
@angle:cd-nh-n2 @atom:cd @atom:nh @atom:n2
@angle:cd-nh-sy @atom:cd @atom:nh @atom:sy
@angle:cf-nh-sy @atom:cf @atom:nh @atom:sy
@angle:hn-n-nd @atom:hn @atom:n @atom:nd
@angle:cd-no-o @atom:cd @atom:no @atom:o
@angle:n3-py-nf @atom:n3 @atom:py @atom:nf
@angle:cd-s6-o @atom:cd @atom:s6 @atom:o
@angle:cd-sh-hs @atom:cd @atom:sh @atom:hs
@angle:c-ss-cd @atom:c @atom:ss @atom:cd
@angle:c3-sx-cd @atom:c3 @atom:sx @atom:cd
@angle:cd-sx-o @atom:cd @atom:sx @atom:o
@angle:c3-sy-cd @atom:c3 @atom:sy @atom:cd
@angle:ca-sy-cd @atom:ca @atom:sy @atom:cd
@angle:ca-sy-nf @atom:ca @atom:sy @atom:nf
@angle:cc-sy-nh @atom:cc @atom:sy @atom:nh
@angle:n3-sy-nf @atom:n3 @atom:sy @atom:nf
} # (end of Angles By Type)
write_once("In Settings") {
dihedral_coeff @dihedral:X-c-c-X fourier 1 0.3 2 180.0 #
dihedral_coeff @dihedral:X-c-c1-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c-cg-X fourier 1 0.0 2 180.0 # same as X-c-c1-X
dihedral_coeff @dihedral:X-c-ch-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c-c2-X fourier 1 2.175 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c-cu-X fourier 1 2.175 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c-cv-X fourier 1 2.175 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c-ce-X fourier 1 2.175 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c-cf-X fourier 1 2.175 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c-c3-X fourier 1 0.0 2 180.0 # JCC, 7, (1986), 230
dihedral_coeff @dihedral:X-c-cx-X fourier 1 0.0 2 180.0 # JCC, 7, (1986), 230
dihedral_coeff @dihedral:X-c-cy-X fourier 1 0.0 2 180.0 # JCC, 7, (1986), 230
dihedral_coeff @dihedral:X-c-ca-X fourier 1 1.0 2 180.0 # optimized by Junmei Wang, Jan-2013
dihedral_coeff @dihedral:X-c-cc-X fourier 1 2.875 2 180.0 # statistic value
dihedral_coeff @dihedral:X-c-cd-X fourier 1 2.875 2 180.0 # statistic value
dihedral_coeff @dihedral:X-c-n-X fourier 1 2.5 2 180.0 # AA,NMA (no c-n3, c-n4, c-nh)
dihedral_coeff @dihedral:X-c-n2-X fourier 1 4.15 2 180.0 # double bond, same as X-c2-n2-X
dihedral_coeff @dihedral:X-c-nc-X fourier 1 4.0 2 180.0 # same as X-C-NC-X
dihedral_coeff @dihedral:X-c-nd-X fourier 1 4.0 2 180.0 # same as X-C-NC-X
dihedral_coeff @dihedral:X-c-ne-X fourier 1 0.2 2 180.0 # single bond
dihedral_coeff @dihedral:X-c-nf-X fourier 1 0.2 2 180.0 # single bond
dihedral_coeff @dihedral:X-c-na-X fourier 2 1.45 2 180.0 0.35 4 180.0 #
dihedral_coeff @dihedral:X-c-no-X fourier 1 0.45 2 180.0 #
dihedral_coeff @dihedral:X-c-oh-X fourier 1 2.3 2 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:X-c-os-X fourier 1 2.7 2 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:X-c-p2-X fourier 1 6.65 2 180.0 # double bond, same as X-c2-p2-X
dihedral_coeff @dihedral:X-c-pc-X fourier 1 2.0 2 180.0 # estimated
dihedral_coeff @dihedral:X-c-pd-X fourier 1 2.0 2 180.0 # estimated
dihedral_coeff @dihedral:X-c-pe-X fourier 1 0.0 2 180.0 # single bond
dihedral_coeff @dihedral:X-c-pf-X fourier 1 0.0 2 180.0 # single bond
dihedral_coeff @dihedral:X-c-p3-X fourier 1 1.55 2 180.0 #
dihedral_coeff @dihedral:X-c-p4-X fourier 1 1.35 2 180.0 #
dihedral_coeff @dihedral:X-c-px-X fourier 1 1.35 2 180.0 #
dihedral_coeff @dihedral:X-c-p5-X fourier 1 1.0 2 0.0 #
dihedral_coeff @dihedral:X-c-py-X fourier 1 1.0 2 0.0 #
dihedral_coeff @dihedral:X-c-sh-X fourier 1 2.25 2 180.0 #
dihedral_coeff @dihedral:X-c-ss-X fourier 1 3.1 2 180.0 #
dihedral_coeff @dihedral:X-c-s4-X fourier 1 0.2 2 180.0 #
dihedral_coeff @dihedral:X-c-sx-X fourier 1 0.2 2 180.0 #
dihedral_coeff @dihedral:X-c-s6-X fourier 1 0.5 2 0.0 #
dihedral_coeff @dihedral:X-c-sy-X fourier 1 0.5 2 0.0 #
dihedral_coeff @dihedral:X-c1-c1-X fourier 1 0.0 2 180.0 # for both triple and single bonds
dihedral_coeff @dihedral:X-c1-cg-X fourier 1 0.0 2 180.0 # for both triple and single bonds
dihedral_coeff @dihedral:X-c1-ch-X fourier 1 0.0 2 180.0 # for both triple and single bonds
dihedral_coeff @dihedral:X-cg-cg-X fourier 1 0.0 2 180.0 # for both triple and single bonds
dihedral_coeff @dihedral:X-ch-ch-X fourier 1 0.0 2 180.0 # for both triple and single bonds
dihedral_coeff @dihedral:X-cg-ch-X fourier 1 0.0 2 180.0 # for both triple and single bonds
dihedral_coeff @dihedral:X-c1-c2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-c3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-ca-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cc-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cd-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-ce-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cf-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cu-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cv-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cx-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-cy-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-n-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-n2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-n3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-n4-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-na-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-nb-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-nc-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-nd-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-ne-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-nf-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-nh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-no-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-oh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-os-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-p2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-pb-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-pc-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-pd-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-pe-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-pf-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-p3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-p4-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-px-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-p5-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-py-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-s2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-sh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-ss-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-s4-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-sx-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-s6-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c1-sy-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-c2-c2-X fourier 1 6.65 2 180.0 # c2=c2 double bond, intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c2-ce-X fourier 1 6.65 2 180.0 # c2=c2 double bond, intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-c2-cf-X fourier 1 6.65 2 180.0 # c2=c2 double bond, intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-ce-cf-X fourier 1 6.65 2 180.0 # c2=c2 double bond, intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-ce-ce-X fourier 1 1.0 2 180.0 # c2-c2 single bond, parm99
dihedral_coeff @dihedral:X-cf-cf-X fourier 1 1.0 2 180.0 # c2-c2 single bond, parm99
dihedral_coeff @dihedral:X-cc-cd-X fourier 1 4.0 2 180.0 # statistic value of parm94
dihedral_coeff @dihedral:X-cc-cc-X fourier 1 4.0 2 180.0 # statistic value of parm94
dihedral_coeff @dihedral:X-cd-cd-X fourier 1 4.0 2 180.0 # statistic value of parm94
dihedral_coeff @dihedral:X-c2-c3-X fourier 1 0.0 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c2-ca-X fourier 1 0.7 2 180.0 # optimized by Junmei Wang, March 2013
dihedral_coeff @dihedral:X-c2-n-X fourier 1 0.65 2 180.0 #
dihedral_coeff @dihedral:X-c2-n2-X fourier 1 4.15 2 180.0 # double bond, parm99
dihedral_coeff @dihedral:X-c2-ne-X fourier 1 4.15 2 180.0 # double bond, parm99
dihedral_coeff @dihedral:X-c2-nf-X fourier 1 4.15 2 180.0 # double bond, parm99
dihedral_coeff @dihedral:X-ce-ne-X fourier 1 0.8 2 180.0 # single bond
dihedral_coeff @dihedral:X-cf-nf-X fourier 1 0.8 2 180.0 # single bond
dihedral_coeff @dihedral:X-c2-nc-X fourier 1 4.75 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-c2-nd-X fourier 1 4.75 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-cc-nd-X fourier 1 4.75 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-cd-nc-X fourier 1 4.75 2 180.0 # statistiv value from parm94
dihedral_coeff @dihedral:X-cc-nc-X fourier 1 4.75 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-cd-nd-X fourier 1 4.75 2 180.0 # statistiv value from parm94
dihedral_coeff @dihedral:X-c2-n3-X fourier 1 0.3 2 180.0 # intrpol.
dihedral_coeff @dihedral:X-c2-n4-X fourier 1 0.0 3 180.0 # intrpol.
dihedral_coeff @dihedral:X-c2-na-X fourier 1 0.625 2 180.0 #
dihedral_coeff @dihedral:X-cc-na-X fourier 1 1.7 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-cd-na-X fourier 1 1.7 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-c2-nh-X fourier 1 0.675 2 180.0 #
dihedral_coeff @dihedral:X-c2-no-X fourier 1 0.75 2 180.0 #
dihedral_coeff @dihedral:X-c2-oh-X fourier 1 1.05 2 180.0 # parm99
dihedral_coeff @dihedral:X-c2-os-X fourier 1 1.05 2 180.0 # parm99
dihedral_coeff @dihedral:X-c2-p2-X fourier 1 6.65 2 180.0 # double bond
dihedral_coeff @dihedral:X-c2-pe-X fourier 1 6.65 2 180.0 # double bond
dihedral_coeff @dihedral:X-c2-pf-X fourier 1 6.65 2 180.0 # double bond
dihedral_coeff @dihedral:X-ce-pf-X fourier 1 6.65 2 180.0 # double bond
dihedral_coeff @dihedral:X-ce-pe-X fourier 1 0.95 2 180.0 # single bond
dihedral_coeff @dihedral:X-cf-pf-X fourier 1 0.95 2 180.0 # single bond
dihedral_coeff @dihedral:X-c2-pc-X fourier 1 4.75 2 180.0 # estimated
dihedral_coeff @dihedral:X-c2-pd-X fourier 1 4.75 2 180.0 # estimated
dihedral_coeff @dihedral:X-cc-pc-X fourier 1 4.75 2 180.0 # estimated
dihedral_coeff @dihedral:X-cc-pd-X fourier 1 4.75 2 180.0 # estimated
dihedral_coeff @dihedral:X-cd-pc-X fourier 1 4.75 2 180.0 # estimated
dihedral_coeff @dihedral:X-cd-pd-X fourier 1 4.75 2 180.0 # estimated
dihedral_coeff @dihedral:X-c2-p3-X fourier 1 0.45 2 180.0 #
dihedral_coeff @dihedral:X-c2-p4-X fourier 1 6.65 2 180.0 # c2=p4 double bond !!!
dihedral_coeff @dihedral:X-ce-p4-X fourier 1 6.65 2 180.0 # c2=p4 double bond !!!
dihedral_coeff @dihedral:X-cf-p4-X fourier 1 6.65 2 180.0 # c2=p4 double bond !!!
dihedral_coeff @dihedral:X-c2-px-X fourier 1 0.325 2 0.0 #
dihedral_coeff @dihedral:X-ce-px-X fourier 1 0.325 2 0.0 #
dihedral_coeff @dihedral:X-cf-px-X fourier 1 0.325 2 0.0 #
dihedral_coeff @dihedral:X-c2-p5-X fourier 1 6.65 2 180.0 # c2=p5 double bond !!!
dihedral_coeff @dihedral:X-ce-p5-X fourier 1 6.65 2 180.0 # c2=p5 double bond !!!
dihedral_coeff @dihedral:X-cf-p5-X fourier 1 6.65 2 180.0 # c2=p5 double bond !!!
dihedral_coeff @dihedral:X-c2-py-X fourier 1 1.43333333333 2 180.0 #
dihedral_coeff @dihedral:X-ce-py-X fourier 1 1.43333333333 2 180.0 #
dihedral_coeff @dihedral:X-cf-py-X fourier 1 1.43333333333 2 180.0 #
dihedral_coeff @dihedral:X-c2-sh-X fourier 1 0.5 2 180.0 #
dihedral_coeff @dihedral:X-c2-ss-X fourier 1 1.1 2 180.0 #
dihedral_coeff @dihedral:X-c2-s4-X fourier 1 6.65 2 180.0 # c2=s4 double bond !!!
dihedral_coeff @dihedral:X-ce-s4-X fourier 1 6.65 2 180.0 # c2=s4 double bond !!!
dihedral_coeff @dihedral:X-cf-s4-X fourier 1 6.65 2 180.0 # c2=s4 double bond !!!
dihedral_coeff @dihedral:X-c2-sx-X fourier 1 0.6 2 0.0 #
dihedral_coeff @dihedral:X-ce-sx-X fourier 1 0.6 2 0.0 #
dihedral_coeff @dihedral:X-cf-sx-X fourier 1 0.6 2 0.0 #
dihedral_coeff @dihedral:X-c2-s6-X fourier 1 6.65 2 180.0 # c2=s6 double bond !!!
dihedral_coeff @dihedral:X-ce-s6-X fourier 1 6.65 2 180.0 # c2=s6 double bond !!!
dihedral_coeff @dihedral:X-cf-s6-X fourier 1 6.65 2 180.0 # c2=s6 double bond !!!
dihedral_coeff @dihedral:X-c2-sy-X fourier 1 1.26666666667 2 180.0 #
dihedral_coeff @dihedral:X-ce-sy-X fourier 1 1.26666666667 2 180.0 #
dihedral_coeff @dihedral:X-cf-sy-X fourier 1 1.26666666667 2 180.0 #
dihedral_coeff @dihedral:X-c3-c3-X fourier 1 0.155555555556 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-cx-cx-X fourier 1 0.155555555556 3 0.0 # same as X-c3-c3-X
dihedral_coeff @dihedral:X-cy-cy-X fourier 1 0.155555555556 3 0.0 # same as X-c3-c3-X
dihedral_coeff @dihedral:X-c3-ca-X fourier 1 0.0 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-n-X fourier 1 0.0 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-cx-n-X fourier 1 0.0 2 0.0 # same as X-c3-n-X
dihedral_coeff @dihedral:X-cy-n-X fourier 1 0.0 2 0.0 # same as X-c3-n-X
dihedral_coeff @dihedral:X-c3-n2-X fourier 1 0.0 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-ne-X fourier 1 0.0 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-nf-X fourier 1 0.0 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-n3-X fourier 1 0.3 3 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:X-c3-n4-X fourier 1 0.155555555556 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-na-X fourier 1 0.0 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-nh-X fourier 1 0.0 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-no-X fourier 1 0.0 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-oh-X fourier 1 0.166666666667 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-os-X fourier 1 0.383333333333 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-p2-X fourier 1 0.266666666667 2 180.0 #
dihedral_coeff @dihedral:X-c3-pe-X fourier 1 0.266666666667 2 180.0 #
dihedral_coeff @dihedral:X-c3-pf-X fourier 1 0.266666666667 2 180.0 #
dihedral_coeff @dihedral:X-c3-p3-X fourier 1 0.133333333333 3 0.0 #
dihedral_coeff @dihedral:X-c3-p4-X fourier 1 0.133333333333 3 0.0 #
dihedral_coeff @dihedral:X-c3-px-X fourier 1 0.133333333333 3 0.0 #
dihedral_coeff @dihedral:X-c3-p5-X fourier 1 0.0222222222222 3 0.0 #
dihedral_coeff @dihedral:X-c3-py-X fourier 1 0.0222222222222 3 0.0 #
dihedral_coeff @dihedral:X-c3-sh-X fourier 1 0.25 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-ss-X fourier 1 0.333333333333 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:X-c3-s4-X fourier 1 0.2 3 0.0 #
dihedral_coeff @dihedral:X-c3-sx-X fourier 1 0.2 3 0.0 #
dihedral_coeff @dihedral:X-c3-s6-X fourier 1 0.144444444444 3 0.0 #
dihedral_coeff @dihedral:X-c3-sy-X fourier 1 0.144444444444 3 0.0 #
dihedral_coeff @dihedral:X-c3-cc-X fourier 1 0.0 3 0.0 # same as X-c3-ca-X
dihedral_coeff @dihedral:X-c3-cd-X fourier 1 0.0 3 0.0 # same as X-c3-ca-X
dihedral_coeff @dihedral:X-ca-ca-X fourier 1 3.625 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-ca-cp-X fourier 1 3.625 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-ca-cq-X fourier 1 3.625 2 180.0 # intrpol.bsd.on C6H6
dihedral_coeff @dihedral:X-cp-cp-X fourier 1 1.0 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-cq-cq-X fourier 1 1.0 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-ca-n-X fourier 1 0.45 2 180.0 #
dihedral_coeff @dihedral:X-ca-n2-X fourier 1 0.0 3 180.0 #
dihedral_coeff @dihedral:X-ca-ne-X fourier 1 0.0 3 180.0 #
dihedral_coeff @dihedral:X-ca-nf-X fourier 1 0.0 3 180.0 #
dihedral_coeff @dihedral:X-ca-n4-X fourier 1 1.75 2 0.0 #
dihedral_coeff @dihedral:X-ca-na-X fourier 1 0.3 2 180.0 #
dihedral_coeff @dihedral:X-ca-nb-X fourier 1 4.8 2 180.0 # same as X-CA-NC-X
dihedral_coeff @dihedral:X-ca-nc-X fourier 1 4.8 2 180.0 # same as X-CA-NC-X
dihedral_coeff @dihedral:X-ca-nd-X fourier 1 4.8 2 180.0 # same as X-CA-NC-X
dihedral_coeff @dihedral:X-ca-nh-X fourier 1 1.05 2 180.0 #
dihedral_coeff @dihedral:X-cc-nh-X fourier 1 1.05 2 180.0 # same as X-ca-nh-X
dihedral_coeff @dihedral:X-cd-nh-X fourier 1 1.05 2 180.0 # same as X-ca-nh-X
dihedral_coeff @dihedral:X-ca-no-X fourier 1 0.6 2 180.0 #
dihedral_coeff @dihedral:X-ca-oh-X fourier 1 0.9 2 180.0 # Junmei et al, 99
dihedral_coeff @dihedral:X-ca-os-X fourier 1 0.9 2 180.0 # same as X-ca-oh-X
dihedral_coeff @dihedral:X-ca-p2-X fourier 1 0.6 2 180.0 #
dihedral_coeff @dihedral:X-ca-pe-X fourier 1 0.6 2 180.0 # same as X-ca-p2-X
dihedral_coeff @dihedral:X-ca-pf-X fourier 1 0.6 2 180.0 # same as X-ca-p2-X
dihedral_coeff @dihedral:X-ca-pc-X fourier 1 4.8 2 180.0 # estimated, intrpol
dihedral_coeff @dihedral:X-ca-pd-X fourier 1 4.8 2 180.0 # estimated, intrpol
dihedral_coeff @dihedral:X-ca-p3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-ca-p4-X fourier 1 0.525 2 180.0 #
dihedral_coeff @dihedral:X-ca-px-X fourier 1 0.525 2 180.0 # estimated, same as X-ca-p4-X
dihedral_coeff @dihedral:X-ca-p5-X fourier 1 1.46666666667 2 180.0 #
dihedral_coeff @dihedral:X-ca-py-X fourier 1 1.46666666667 2 180.0 # estimated, same as X-ca-p5-X
dihedral_coeff @dihedral:X-ca-sh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-ca-ss-X fourier 1 0.4 2 180.0 #
dihedral_coeff @dihedral:X-ca-s4-X fourier 1 0.3 2 0.0 #
dihedral_coeff @dihedral:X-ca-sx-X fourier 1 0.3 2 0.0 # estimated, same as X-ca-s4-X
dihedral_coeff @dihedral:X-ca-s6-X fourier 1 1.3 2 180.0 #
dihedral_coeff @dihedral:X-ca-sy-X fourier 1 1.3 2 180.0 # estimated, same as X-ca-s6-X
dihedral_coeff @dihedral:X-n-cc-X fourier 1 1.65 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-n-cd-X fourier 1 1.65 2 180.0 # statistic value from parm94
dihedral_coeff @dihedral:X-n-n-X fourier 1 1.15 2 0.0 #
dihedral_coeff @dihedral:X-n-n2-X fourier 1 0.4 2 0.0 #
dihedral_coeff @dihedral:X-n-ne-X fourier 1 0.4 2 0.0 #
dihedral_coeff @dihedral:X-n-nf-X fourier 1 0.4 2 0.0 #
dihedral_coeff @dihedral:X-n-n3-X fourier 1 1.075 2 0.0 #
dihedral_coeff @dihedral:X-n-n4-X fourier 1 0.95 2 0.0 #
dihedral_coeff @dihedral:X-n-na-X fourier 1 0.7 2 0.0 #
dihedral_coeff @dihedral:X-n-nc-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n-nd-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n-nh-X fourier 1 1.1 2 0.0 #
dihedral_coeff @dihedral:X-n-no-X fourier 1 1.375 2 180.0 #
dihedral_coeff @dihedral:X-n-oh-X fourier 1 1.5 2 0.0 #
dihedral_coeff @dihedral:X-n-os-X fourier 1 1.1 2 0.0 #
dihedral_coeff @dihedral:X-n-p2-X fourier 1 1.0 2 180.0 #
dihedral_coeff @dihedral:X-n-pe-X fourier 1 1.0 2 180.0 #
dihedral_coeff @dihedral:X-n-pf-X fourier 1 1.0 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n-pc-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n-pd-X fourier 1 4.8 2 180.0 #
dihedral_coeff @dihedral:X-n-p3-X fourier 1 2.25 2 0.0 #
dihedral_coeff @dihedral:X-n-p4-X fourier 1 0.325 2 0.0 #
dihedral_coeff @dihedral:X-n-px-X fourier 1 0.325 2 0.0 #
dihedral_coeff @dihedral:X-n-p5-X fourier 1 2.2 2 180.0 #
dihedral_coeff @dihedral:X-n-py-X fourier 1 2.2 2 180.0 #
dihedral_coeff @dihedral:X-n-sh-X fourier 1 1.1 2 0.0 #
dihedral_coeff @dihedral:X-n-ss-X fourier 1 1.5 2 0.0 #
dihedral_coeff @dihedral:X-n-s4-X fourier 1 1.5 3 0.0 #
dihedral_coeff @dihedral:X-n-sx-X fourier 1 1.5 3 0.0 #
dihedral_coeff @dihedral:X-n-s6-X fourier 1 1.1 2 180.0 #
dihedral_coeff @dihedral:X-n-sy-X fourier 1 1.1 2 180.0 #
dihedral_coeff @dihedral:X-n1-c2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-c3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-ca-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cc-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cd-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-ce-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cf-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cu-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cv-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cx-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-cy-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-n-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-n1-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-n2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-n3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-n4-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-na-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-nb-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-nc-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-nd-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-ne-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-nf-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-nh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-no-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-oh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-os-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-p2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-pb-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-pc-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-pd-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-pe-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-pf-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-p3-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-p4-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-px-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-p5-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-py-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-s2-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-sh-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-ss-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-s4-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-sx-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-s6-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n1-sy-X fourier 1 0.0 2 180.0 #
dihedral_coeff @dihedral:X-n2-n2-X fourier 2 3.0 2 180.0 2.8 1 0.0 # double bond
dihedral_coeff @dihedral:X-n2-ne-X fourier 2 3.0 2 180.0 2.8 1 0.0 # double bond
dihedral_coeff @dihedral:X-n2-nf-X fourier 2 3.0 2 180.0 2.8 1 0.0 # double bond
dihedral_coeff @dihedral:X-ne-nf-X fourier 2 3.0 2 180.0 2.8 1 0.0 # double bond
dihedral_coeff @dihedral:X-ne-ne-X fourier 1 1.2 2 180.0 # single bond, intrpol
dihedral_coeff @dihedral:X-nf-nf-X fourier 1 1.2 2 180.0 # single bond, intrpol
dihedral_coeff @dihedral:X-nc-nc-X fourier 1 4.0 2 180.0 # estimated, intrpol
dihedral_coeff @dihedral:X-nd-nd-X fourier 1 4.0 2 180.0 # estimated, intrpol
dihedral_coeff @dihedral:X-nc-nd-X fourier 1 4.0 2 180.0 # estimated, intrpol
dihedral_coeff @dihedral:X-n2-nc-X fourier 2 3.0 2 180.0 2.8 1 0.0 # same as X-n2-n2-X
dihedral_coeff @dihedral:X-n2-nd-X fourier 2 3.0 2 180.0 2.8 1 0.0 # same as X-n2-n2-X
dihedral_coeff @dihedral:X-n2-n3-X fourier 1 6.1 2 180.0 #
dihedral_coeff @dihedral:X-ne-n3-X fourier 1 6.1 2 180.0 #
dihedral_coeff @dihedral:X-nf-n3-X fourier 1 6.1 2 180.0 #
dihedral_coeff @dihedral:X-n2-n4-X fourier 1 8.0 2 180.0 #
dihedral_coeff @dihedral:X-ne-n4-X fourier 1 8.0 2 180.0 #
dihedral_coeff @dihedral:X-nf-n4-X fourier 1 8.0 2 180.0 #
dihedral_coeff @dihedral:X-n2-na-X fourier 1 1.7 2 180.0 #
dihedral_coeff @dihedral:X-ne-na-X fourier 1 1.7 2 180.0 #
dihedral_coeff @dihedral:X-nf-na-X fourier 1 1.7 2 180.0 #
dihedral_coeff @dihedral:X-na-nc-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-na-nd-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n2-nh-X fourier 1 2.8 2 180.0 #
dihedral_coeff @dihedral:X-ne-nh-X fourier 1 2.8 2 180.0 #
dihedral_coeff @dihedral:X-nf-nh-X fourier 1 2.8 2 180.0 #
dihedral_coeff @dihedral:X-n2-no-X fourier 1 0.75 2 180.0 #
dihedral_coeff @dihedral:X-ne-no-X fourier 1 0.75 2 180.0 #
dihedral_coeff @dihedral:X-nf-no-X fourier 1 0.75 2 180.0 #
dihedral_coeff @dihedral:X-n2-oh-X fourier 1 3.2 2 180.0 #
dihedral_coeff @dihedral:X-ne-oh-X fourier 1 3.2 2 180.0 #
dihedral_coeff @dihedral:X-nf-oh-X fourier 1 3.2 2 180.0 #
dihedral_coeff @dihedral:X-n2-os-X fourier 1 3.0 2 180.0 #
dihedral_coeff @dihedral:X-ne-os-X fourier 1 3.0 2 180.0 #
dihedral_coeff @dihedral:X-nf-os-X fourier 1 3.0 2 180.0 #
dihedral_coeff @dihedral:X-nc-os-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nc-ss-X fourier 1 4.8 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n2-p2-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n2-pe-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n2-pf-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-ne-pf-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n2-pc-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-n2-pd-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nc-p2-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nd-p2-X fourier 1 5.4 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nc-pc-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nd-pd-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nd-pc-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-nc-pd-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-ne-pe-X fourier 1 0.6 1 0.0 # single bond
dihedral_coeff @dihedral:X-nf-pf-X fourier 1 0.6 1 0.0 # single bond
dihedral_coeff @dihedral:X-n2-p3-X fourier 1 2.1 2 180.0 #
dihedral_coeff @dihedral:X-n2-p4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-ne-p4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-nf-p4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-n2-p5-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-ne-p5-X fourier 1 1.0 3 180.0 #
dihedral_coeff @dihedral:X-nf-p5-X fourier 1 1.0 3 180.0 #
dihedral_coeff @dihedral:X-ne-px-X fourier 1 1.0 3 180.0 #
dihedral_coeff @dihedral:X-nf-px-X fourier 1 1.0 3 180.0 #
dihedral_coeff @dihedral:X-n2-sh-X fourier 1 2.1 2 180.0 #
dihedral_coeff @dihedral:X-ne-sh-X fourier 1 2.1 2 180.0 #
dihedral_coeff @dihedral:X-nf-sh-X fourier 1 2.1 2 180.0 #
dihedral_coeff @dihedral:X-n2-ss-X fourier 2 2.8 2 180.0 1.3 1 180.0 #
dihedral_coeff @dihedral:X-ne-ss-X fourier 2 2.8 2 180.0 1.3 1 180.0 #
dihedral_coeff @dihedral:X-nf-ss-X fourier 2 2.8 2 180.0 1.3 1 180.0 #
dihedral_coeff @dihedral:X-n2-s4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-ne-sx-X fourier 1 1.5 3 180.0 #
dihedral_coeff @dihedral:X-nf-sx-X fourier 1 1.5 3 180.0 #
dihedral_coeff @dihedral:X-n2-s6-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-ne-sy-X fourier 2 0.5 3 180.0 6.8 1 180.0 #
dihedral_coeff @dihedral:X-nf-sy-X fourier 2 0.5 3 180.0 6.8 1 180.0 #
dihedral_coeff @dihedral:X-n3-n3-X fourier 1 2.25 2 0.0 #
dihedral_coeff @dihedral:X-n3-n4-X fourier 1 0.25 3 0.0 #
dihedral_coeff @dihedral:X-n3-na-X fourier 1 1.6 2 0.0 #
dihedral_coeff @dihedral:X-n3-nh-X fourier 1 1.9 2 0.0 #
dihedral_coeff @dihedral:X-n3-no-X fourier 1 4.0 2 180.0 #
dihedral_coeff @dihedral:X-n3-oh-X fourier 1 2.2 2 0.0 #
dihedral_coeff @dihedral:X-n3-os-X fourier 1 1.8 2 0.0 #
dihedral_coeff @dihedral:X-n3-p2-X fourier 1 3.2 2 180.0 #
dihedral_coeff @dihedral:X-n3-pe-X fourier 1 3.2 2 180.0 #
dihedral_coeff @dihedral:X-n3-pf-X fourier 1 3.2 2 180.0 #
dihedral_coeff @dihedral:X-n3-p3-X fourier 1 2.35 2 0.0 #
dihedral_coeff @dihedral:X-n3-p4-X fourier 1 2.1 2 180.0 #
dihedral_coeff @dihedral:X-n3-px-X fourier 1 2.1 2 180.0 #
dihedral_coeff @dihedral:X-n3-p5-X fourier 1 3.0 2 180.0 #
dihedral_coeff @dihedral:X-n3-py-X fourier 1 3.0 2 180.0 #
dihedral_coeff @dihedral:X-n3-sh-X fourier 1 3.1 2 0.0 #
dihedral_coeff @dihedral:X-n3-ss-X fourier 1 2.6 2 0.0 #
dihedral_coeff @dihedral:X-n3-s4-X fourier 1 3.75 2 0.0 #
dihedral_coeff @dihedral:X-n3-sx-X fourier 1 3.75 2 0.0 #
dihedral_coeff @dihedral:X-n3-s6-X fourier 1 3.13333333333 2 0.0 #
dihedral_coeff @dihedral:X-n3-sy-X fourier 1 3.13333333333 2 0.0 #
dihedral_coeff @dihedral:X-n4-n4-X fourier 1 0.188888888889 3 0.0 #
dihedral_coeff @dihedral:X-n4-na-X fourier 1 0.233333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-nh-X fourier 1 0.183333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-no-X fourier 1 0.0833333333333 3 180.0 #
dihedral_coeff @dihedral:X-n4-oh-X fourier 1 0.333333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-os-X fourier 1 0.566666666667 3 0.0 #
dihedral_coeff @dihedral:X-n4-p2-X fourier 1 0.166666666667 3 180.0 #
dihedral_coeff @dihedral:X-n4-pe-X fourier 1 0.166666666667 3 180.0 #
dihedral_coeff @dihedral:X-n4-pf-X fourier 1 0.166666666667 3 180.0 #
dihedral_coeff @dihedral:X-n4-p3-X fourier 1 0.15 3 0.0 #
dihedral_coeff @dihedral:X-n4-p4-X fourier 1 0.05 3 0.0 #
dihedral_coeff @dihedral:X-n4-px-X fourier 1 0.05 3 0.0 #
dihedral_coeff @dihedral:X-n4-p5-X fourier 1 0.0888888888889 3 0.0 #
dihedral_coeff @dihedral:X-n4-py-X fourier 1 0.0888888888889 3 0.0 #
dihedral_coeff @dihedral:X-n4-sh-X fourier 1 0.666666666667 3 0.0 #
dihedral_coeff @dihedral:X-n4-ss-X fourier 1 0.333333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-s4-X fourier 1 0.283333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-sx-X fourier 1 0.283333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-s6-X fourier 1 0.133333333333 3 0.0 #
dihedral_coeff @dihedral:X-n4-sy-X fourier 1 0.133333333333 3 0.0 #
dihedral_coeff @dihedral:X-na-na-X fourier 1 0.9 2 0.0 #
dihedral_coeff @dihedral:X-na-nh-X fourier 1 1.2 2 0.0 #
dihedral_coeff @dihedral:X-na-no-X fourier 1 6.0 2 180.0 #
dihedral_coeff @dihedral:X-na-oh-X fourier 1 1.0 2 0.0 #
dihedral_coeff @dihedral:X-na-os-X fourier 1 0.65 2 0.0 #
dihedral_coeff @dihedral:X-na-p2-X fourier 1 1.0 2 180.0 #
dihedral_coeff @dihedral:X-na-pe-X fourier 1 1.0 2 180.0 #
dihedral_coeff @dihedral:X-na-pf-X fourier 1 1.0 2 180.0 #
dihedral_coeff @dihedral:X-na-p3-X fourier 1 1.45 2 0.0 #
dihedral_coeff @dihedral:X-na-p4-X fourier 1 1.1 3 0.0 #
dihedral_coeff @dihedral:X-na-px-X fourier 1 1.1 3 0.0 #
dihedral_coeff @dihedral:X-na-p5-X fourier 1 0.833333333333 2 180.0 #
dihedral_coeff @dihedral:X-na-py-X fourier 1 0.833333333333 2 180.0 #
dihedral_coeff @dihedral:X-na-sh-X fourier 1 1.8 2 0.0 #
dihedral_coeff @dihedral:X-na-ss-X fourier 1 7.8 2 0.0 #
dihedral_coeff @dihedral:X-na-s4-X fourier 1 1.05 2 0.0 #
dihedral_coeff @dihedral:X-na-sx-X fourier 1 1.05 2 0.0 #
dihedral_coeff @dihedral:X-na-s6-X fourier 1 3.66666666667 2 180.0 #
dihedral_coeff @dihedral:X-na-sy-X fourier 1 3.66666666667 2 180.0 #
dihedral_coeff @dihedral:X-nh-nh-X fourier 1 1.8 3 180.0 #
dihedral_coeff @dihedral:X-nh-no-X fourier 1 2.55 2 180.0 #
dihedral_coeff @dihedral:X-nh-oh-X fourier 1 1.5 2 0.0 #
dihedral_coeff @dihedral:X-nh-os-X fourier 1 1.5 1 0.0 #
dihedral_coeff @dihedral:X-nh-p2-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-nh-pe-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-nh-pf-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-nh-p3-X fourier 1 2.35 2 0.0 #
dihedral_coeff @dihedral:X-nh-p4-X fourier 1 1.175 3 0.0 #
dihedral_coeff @dihedral:X-nh-px-X fourier 1 1.175 3 0.0 #
dihedral_coeff @dihedral:X-nh-p5-X fourier 1 0.8 2 0.0 #
dihedral_coeff @dihedral:X-nh-py-X fourier 1 0.8 2 0.0 #
dihedral_coeff @dihedral:X-nh-sh-X fourier 1 1.6 2 0.0 #
dihedral_coeff @dihedral:X-nh-ss-X fourier 1 2.1 2 0.0 #
dihedral_coeff @dihedral:X-nh-s4-X fourier 2 0.75 2 0.0 0.1 3 180.0 #
dihedral_coeff @dihedral:X-nh-sx-X fourier 2 0.75 2 0.0 0.1 3 180.0 #
dihedral_coeff @dihedral:X-nh-s6-X fourier 1 0.1 2 180.0 #
dihedral_coeff @dihedral:X-nh-sy-X fourier 1 0.1 2 180.0 #
dihedral_coeff @dihedral:X-no-no-X fourier 2 0.4 4 180.0 1.8 2 180.0 #
dihedral_coeff @dihedral:X-no-oh-X fourier 1 3.9 2 180.0 #
dihedral_coeff @dihedral:X-no-os-X fourier 1 3.0 2 180.0 #
dihedral_coeff @dihedral:X-no-p2-X fourier 1 0.3 2 180.0 #
dihedral_coeff @dihedral:X-no-pe-X fourier 1 0.3 2 180.0 #
dihedral_coeff @dihedral:X-no-pf-X fourier 1 0.3 2 180.0 #
dihedral_coeff @dihedral:X-no-p3-X fourier 1 1.9 2 180.0 #
dihedral_coeff @dihedral:X-no-p4-X fourier 1 0.575 2 180.0 #
dihedral_coeff @dihedral:X-no-px-X fourier 1 0.575 2 180.0 #
dihedral_coeff @dihedral:X-no-p5-X fourier 2 2.4 2 0.0 0.4 3 0.0 #
dihedral_coeff @dihedral:X-no-py-X fourier 2 2.4 2 0.0 0.4 3 0.0 #
dihedral_coeff @dihedral:X-no-sh-X fourier 1 2.3 2 180.0 #
dihedral_coeff @dihedral:X-no-ss-X fourier 1 2.7 2 180.0 #
dihedral_coeff @dihedral:X-no-s4-X fourier 1 2.6 2 180.0 #
dihedral_coeff @dihedral:X-no-sx-X fourier 1 2.6 2 180.0 #
dihedral_coeff @dihedral:X-no-s6-X fourier 1 0.333333333333 2 0.0 #
dihedral_coeff @dihedral:X-no-sy-X fourier 1 0.333333333333 2 0.0 #
dihedral_coeff @dihedral:X-oh-oh-X fourier 1 1.6 2 0.0 #
dihedral_coeff @dihedral:X-oh-os-X fourier 1 1.6 2 0.0 #
dihedral_coeff @dihedral:X-oh-p2-X fourier 1 1.5 2 180.0 #
dihedral_coeff @dihedral:X-oh-pe-X fourier 1 1.5 2 180.0 #
dihedral_coeff @dihedral:X-oh-pf-X fourier 1 1.5 2 180.0 #
dihedral_coeff @dihedral:X-oh-p3-X fourier 1 0.4 3 180.0 #
dihedral_coeff @dihedral:X-oh-p4-X fourier 1 0.7 1 0.0 #
dihedral_coeff @dihedral:X-oh-px-X fourier 1 0.7 1 0.0 #
dihedral_coeff @dihedral:X-oh-p5-X fourier 1 0.533333333333 3 0.0 #
dihedral_coeff @dihedral:X-oh-py-X fourier 1 0.533333333333 3 0.0 #
dihedral_coeff @dihedral:X-oh-sh-X fourier 1 2.4 2 0.0 #
dihedral_coeff @dihedral:X-oh-ss-X fourier 1 2.4 2 0.0 #
dihedral_coeff @dihedral:X-oh-s4-X fourier 1 5.0 1 0.0 #
dihedral_coeff @dihedral:X-oh-sx-X fourier 1 5.0 1 0.0 #
dihedral_coeff @dihedral:X-oh-s6-X fourier 1 9.5 1 180.0 #
dihedral_coeff @dihedral:X-oh-sy-X fourier 1 9.5 1 180.0 #
dihedral_coeff @dihedral:X-os-os-X fourier 1 1.0 1 0.0 #
dihedral_coeff @dihedral:X-os-ss-X fourier 1 2.2 2 0.0 #
dihedral_coeff @dihedral:X-os-sh-X fourier 1 1.8 2 0.0 #
dihedral_coeff @dihedral:X-os-s4-X fourier 1 1.65 3 0.0 #
dihedral_coeff @dihedral:X-os-sx-X fourier 1 1.65 3 0.0 #
dihedral_coeff @dihedral:X-os-s6-X fourier 1 1.2 2 180.0 #
dihedral_coeff @dihedral:X-os-sy-X fourier 1 1.2 2 180.0 #
dihedral_coeff @dihedral:X-os-p2-X fourier 2 3.0 2 180.0 2.0 1 180.0 #
dihedral_coeff @dihedral:X-os-pe-X fourier 2 3.0 2 180.0 2.0 1 180.0 #
dihedral_coeff @dihedral:X-os-pf-X fourier 2 3.0 2 180.0 2.0 1 180.0 #
dihedral_coeff @dihedral:X-os-p3-X fourier 1 2.2 2 0.0 #
dihedral_coeff @dihedral:X-os-p4-X fourier 1 1.05 2 180.0 #
dihedral_coeff @dihedral:X-os-px-X fourier 1 1.05 2 180.0 #
dihedral_coeff @dihedral:X-os-p5-X fourier 1 0.8 2 0.0 #
dihedral_coeff @dihedral:X-os-py-X fourier 1 0.8 2 0.0 #
dihedral_coeff @dihedral:X-p2-p2-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-p2-pe-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-p2-pf-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-p2-pc-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-p2-pd-X fourier 1 6.6 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-pe-pe-X fourier 1 1.2 2 180.0 # single bond
dihedral_coeff @dihedral:X-pf-pf-X fourier 1 1.2 2 180.0 # single bond
dihedral_coeff @dihedral:X-pc-pc-X fourier 1 7.2 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-pd-pd-X fourier 1 7.2 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-pc-pd-X fourier 1 7.2 2 180.0 # estimated, intrpol.
dihedral_coeff @dihedral:X-p2-p3-X fourier 1 1.2 1 0.0 #
dihedral_coeff @dihedral:X-pe-p3-X fourier 1 1.2 1 0.0 #
dihedral_coeff @dihedral:X-pf-p3-X fourier 1 1.2 1 0.0 #
dihedral_coeff @dihedral:X-p2-p4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-pe-px-X fourier 1 2.45 2 0.0 #
dihedral_coeff @dihedral:X-pf-px-X fourier 1 2.45 2 0.0 #
dihedral_coeff @dihedral:X-p2-p5-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-pe-py-X fourier 1 1.9 1 0.0 #
dihedral_coeff @dihedral:X-pf-py-X fourier 1 1.9 1 0.0 #
dihedral_coeff @dihedral:X-p2-sh-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-pe-sh-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-pf-sh-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-p2-ss-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-pe-ss-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-pf-ss-X fourier 1 1.4 2 180.0 #
dihedral_coeff @dihedral:X-p2-s4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-pe-sx-X fourier 1 1.5 2 0.0 #
dihedral_coeff @dihedral:X-pf-sx-X fourier 1 1.5 2 0.0 #
dihedral_coeff @dihedral:X-p2-s6-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-pe-sy-X fourier 1 0.4 3 180.0 #
dihedral_coeff @dihedral:X-pf-sy-X fourier 1 0.4 3 180.0 #
dihedral_coeff @dihedral:X-p3-p3-X fourier 1 0.5 3 0.0 #
dihedral_coeff @dihedral:X-p3-p4-X fourier 1 0.9 1 0.0 #
dihedral_coeff @dihedral:X-p3-px-X fourier 1 0.9 1 0.0 #
dihedral_coeff @dihedral:X-p3-p5-X fourier 1 1.83333333333 2 180.0 #
dihedral_coeff @dihedral:X-p3-py-X fourier 1 1.83333333333 2 180.0 #
dihedral_coeff @dihedral:X-p3-sh-X fourier 1 4.6 2 0.0 #
dihedral_coeff @dihedral:X-p3-ss-X fourier 1 1.15 3 0.0 #
dihedral_coeff @dihedral:X-p3-s4-X fourier 1 3.85 2 0.0 #
dihedral_coeff @dihedral:X-p3-sx-X fourier 1 3.85 2 0.0 #
dihedral_coeff @dihedral:X-p3-s6-X fourier 1 0.266666666667 3 0.0 #
dihedral_coeff @dihedral:X-p3-sy-X fourier 1 0.266666666667 3 0.0 #
dihedral_coeff @dihedral:X-p4-p4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-px-px-X fourier 1 1.45 2 180.0 #
dihedral_coeff @dihedral:X-p4-p5-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-px-py-X fourier 1 0.316666666667 2 180.0 #
dihedral_coeff @dihedral:X-p4-s4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-px-sx-X fourier 1 0.85 1 0.0 #
dihedral_coeff @dihedral:X-p4-s6-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-px-sy-X fourier 1 0.116666666667 3 0.0 #
dihedral_coeff @dihedral:X-p4-sh-X fourier 1 0.25 1 180.0 #
dihedral_coeff @dihedral:X-px-sh-X fourier 1 0.25 1 180.0 #
dihedral_coeff @dihedral:X-p4-ss-X fourier 1 0.6 2 180.0 #
dihedral_coeff @dihedral:X-px-ss-X fourier 1 0.6 2 180.0 #
dihedral_coeff @dihedral:X-p5-p5-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-py-py-X fourier 1 0.6 2 0.0 #
dihedral_coeff @dihedral:X-p5-sh-X fourier 1 0.3 3 0.0 #
dihedral_coeff @dihedral:X-py-sh-X fourier 1 0.3 3 0.0 #
dihedral_coeff @dihedral:X-p5-ss-X fourier 1 3.8 2 180.0 #
dihedral_coeff @dihedral:X-py-ss-X fourier 1 3.8 2 180.0 #
dihedral_coeff @dihedral:X-p5-s4-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-py-sx-X fourier 1 0.266666666667 3 0.0 #
dihedral_coeff @dihedral:X-p5-s6-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-py-sy-X fourier 1 0.277777777778 3 0.0 #
dihedral_coeff @dihedral:X-sh-sh-X fourier 1 5.6 3 0.0 #
dihedral_coeff @dihedral:X-sh-ss-X fourier 1 5.3 3 0.0 #
dihedral_coeff @dihedral:X-sh-s4-X fourier 1 0.7 3 0.0 #
dihedral_coeff @dihedral:X-sh-sx-X fourier 1 0.7 3 0.0 #
dihedral_coeff @dihedral:X-sh-s6-X fourier 1 4.66666666667 2 180.0 #
dihedral_coeff @dihedral:X-sh-sy-X fourier 1 4.66666666667 2 180.0 #
dihedral_coeff @dihedral:X-ss-ss-X fourier 1 0.0 3 0.0 #
dihedral_coeff @dihedral:X-ss-s4-X fourier 1 0.3 3 0.0 #
dihedral_coeff @dihedral:X-ss-sx-X fourier 1 0.3 3 0.0 #
dihedral_coeff @dihedral:X-ss-s6-X fourier 1 3.06666666667 2 180.0 #
dihedral_coeff @dihedral:X-ss-sy-X fourier 1 3.06666666667 2 180.0 #
dihedral_coeff @dihedral:X-s4-s4-X fourier 1 6.65 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-sx-sx-X fourier 1 0.625 3 0.0 #
dihedral_coeff @dihedral:X-s4-s6-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-sx-sy-X fourier 1 4.33333333333 2 180.0 #
dihedral_coeff @dihedral:X-s6-s6-X fourier 1 6.66666666667 2 180.0 # estimated !!!
dihedral_coeff @dihedral:X-sy-sy-X fourier 1 0.155555555556 2 180.0 #
dihedral_coeff @dihedral:X-cf-pe-X fourier 1 6.65 2 180.0 # NEW
dihedral_coeff @dihedral:X-nd-os-X fourier 1 4.8 2 180.0 # NEW
dihedral_coeff @dihedral:X-nd-ss-X fourier 1 4.8 2 180.0 # NEW
dihedral_coeff @dihedral:X-nf-pe-X fourier 1 5.4 2 180.0 # NEW
dihedral_coeff @dihedral:c3-c-sh-hs fourier 2 2.25 2 180.0 1.3 1 180.0 #
dihedral_coeff @dihedral:c2-c2-ss-c3 fourier 2 1.1 2 180.0 0.7 3 180.0 #
dihedral_coeff @dihedral:c2-c2-n-c fourier 2 0.65 2 180.0 1.2 1 180.0 #
dihedral_coeff @dihedral:c-n-p2-c2 fourier 2 1.0 2 180.0 1.9 1 180.0 #
dihedral_coeff @dihedral:n-c3-c-n fourier 2 1.7 1 180.0 2.0 2 180.0 #
dihedral_coeff @dihedral:c-n-c3-c fourier 2 0.85 2 180.0 0.8 1 0.0 #
dihedral_coeff @dihedral:c3-c3-n-c fourier 3 0.5 4 180.0 0.15 3 180.0 0.53 1 0.0 # phi,psi,parm94
dihedral_coeff @dihedral:c3-c3-c-n fourier 2 0.1 4 0.0 0.07 2 0.0 # phi,psi,parm94
dihedral_coeff @dihedral:c2-ne-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0 #
dihedral_coeff @dihedral:c2-nf-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0 #
dihedral_coeff @dihedral:ce-ne-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0 #
dihedral_coeff @dihedral:ce-nf-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0 #
dihedral_coeff @dihedral:cf-ne-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0 #
dihedral_coeff @dihedral:cf-nf-p5-o fourier 2 0.0 3 0.0 2.3 1 0.0 #
dihedral_coeff @dihedral:hn-n-c-o fourier 2 2.5 2 180.0 2.0 1 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:c3-ss-ss-c3 fourier 2 3.5 2 0.0 0.6 3 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:c3-n3-nh-ca fourier 2 1.9 2 0.0 1.9 3 0.0 #
dihedral_coeff @dihedral:c3-n3-p5-o fourier 2 3.0 2 180.0 2.3 3 0.0 #
dihedral_coeff @dihedral:ca-nh-oh-ho fourier 2 1.2 1 0.0 1.5 2 0.0 #
dihedral_coeff @dihedral:oh-p5-os-c3 fourier 2 0.25 3 0.0 1.2 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:os-p5-os-c3 fourier 2 0.25 3 0.0 1.2 2 0.0 # JCC,7,(1986),230
dihedral_coeff @dihedral:h1-c3-c-o fourier 2 0.8 1 0.0 0.08 3 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c-o fourier 2 0.8 1 0.0 0.08 3 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-hc fourier 1 0.15 3 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-c3 fourier 1 0.16 3 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c2-c2 fourier 2 0.38 3 180.0 1.15 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:ho-oh-c3-c3 fourier 2 0.16 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:ho-oh-c-o fourier 2 2.3 2 180.0 1.9 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c2-c2-c-o fourier 2 2.175 2 180.0 0.3 3 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c3-c2-c2-c3 fourier 2 6.65 2 180.0 1.9 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c3-c3-c3-c3 fourier 3 0.18 3 0.0 0.25 2 180.0 0.2 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c3-c3-n3-c3 fourier 2 0.3 3 0.0 0.48 2 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c3-c3-os-c3 fourier 2 0.383 3 0.0 0.1 2 180.0 #
dihedral_coeff @dihedral:c3-c3-os-c fourier 2 0.383 3 0.0 0.8 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c3-os-c3-os fourier 3 0.1 3 0.0 0.85 2 180.0 1.35 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:c3-os-c3-na fourier 2 0.383 3 0.0 0.65 2 0.0 # parm98.dat, TC,PC,PAK
dihedral_coeff @dihedral:o-c-os-c3 fourier 2 2.7 2 180.0 1.4 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:os-c3-na-c2 fourier 2 0.0 2 0.0 2.5 1 0.0 # parm98, TC,PC,PAK
dihedral_coeff @dihedral:os-c3-c3-os fourier 2 0.144 3 0.0 1.175 2 0.0 # parm98, TC,PC,PAK
dihedral_coeff @dihedral:os-c3-c3-oh fourier 2 0.144 3 0.0 1.175 2 0.0 # parm98, TC,PC,PAK
dihedral_coeff @dihedral:oh-c3-c3-oh fourier 2 0.144 3 0.0 1.175 2 0.0 # parm98, TC,PC,PAK
dihedral_coeff @dihedral:f-c3-c3-f fourier 2 0.0 3 0.0 1.2 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:cl-c3-c3-cl fourier 2 0.0 3 0.0 0.45 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:br-c3-c3-br fourier 2 0.0 3 0.0 0.0 1 180.0 # Junmei et al, 1999
dihedral_coeff @dihedral:h1-c3-c3-os fourier 2 0.0 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:h1-c3-c3-oh fourier 2 0.0 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:h1-c3-c3-f fourier 2 0.0 3 0.0 0.19 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:h1-c3-c3-cl fourier 2 0.0 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:h1-c3-c3-br fourier 2 0.0 3 0.0 0.55 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-os fourier 2 0.0 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-oh fourier 2 0.0 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-f fourier 2 0.0 3 0.0 0.19 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-cl fourier 2 0.0 3 0.0 0.25 1 0.0 # Junmei et al, 1999
dihedral_coeff @dihedral:hc-c3-c3-br fourier 2 0.0 3 0.0 0.55 1 0.0 # Junmei et al, 1999
} # (end of dihedral_coeffs)
write_once("Data Dihedrals By Type") {
@dihedral:X-c-c-X @atom:* @atom:c @atom:c @atom:*
@dihedral:X-c-c1-X @atom:* @atom:c @atom:c1 @atom:*
@dihedral:X-c-cg-X @atom:* @atom:c @atom:cg @atom:*
@dihedral:X-c-ch-X @atom:* @atom:c @atom:ch @atom:*
@dihedral:X-c-c2-X @atom:* @atom:c @atom:c2 @atom:*
@dihedral:X-c-cu-X @atom:* @atom:c @atom:cu @atom:*
@dihedral:X-c-cv-X @atom:* @atom:c @atom:cv @atom:*
@dihedral:X-c-ce-X @atom:* @atom:c @atom:ce @atom:*
@dihedral:X-c-cf-X @atom:* @atom:c @atom:cf @atom:*
@dihedral:X-c-c3-X @atom:* @atom:c @atom:c3 @atom:*
@dihedral:X-c-cx-X @atom:* @atom:c @atom:cx @atom:*
@dihedral:X-c-cy-X @atom:* @atom:c @atom:cy @atom:*
@dihedral:X-c-ca-X @atom:* @atom:c @atom:ca @atom:*
@dihedral:X-c-cc-X @atom:* @atom:c @atom:cc @atom:*
@dihedral:X-c-cd-X @atom:* @atom:c @atom:cd @atom:*
@dihedral:X-c-n-X @atom:* @atom:c @atom:n @atom:*
@dihedral:X-c-n2-X @atom:* @atom:c @atom:n2 @atom:*
@dihedral:X-c-nc-X @atom:* @atom:c @atom:nc @atom:*
@dihedral:X-c-nd-X @atom:* @atom:c @atom:nd @atom:*
@dihedral:X-c-ne-X @atom:* @atom:c @atom:ne @atom:*
@dihedral:X-c-nf-X @atom:* @atom:c @atom:nf @atom:*
@dihedral:X-c-na-X @atom:* @atom:c @atom:na @atom:*
@dihedral:X-c-na-X @atom:* @atom:c @atom:na @atom:*
@dihedral:X-c-no-X @atom:* @atom:c @atom:no @atom:*
@dihedral:X-c-oh-X @atom:* @atom:c @atom:oh @atom:*
@dihedral:X-c-os-X @atom:* @atom:c @atom:os @atom:*
@dihedral:X-c-p2-X @atom:* @atom:c @atom:p2 @atom:*
@dihedral:X-c-pc-X @atom:* @atom:c @atom:pc @atom:*
@dihedral:X-c-pd-X @atom:* @atom:c @atom:pd @atom:*
@dihedral:X-c-pe-X @atom:* @atom:c @atom:pe @atom:*
@dihedral:X-c-pf-X @atom:* @atom:c @atom:pf @atom:*
@dihedral:X-c-p3-X @atom:* @atom:c @atom:p3 @atom:*
@dihedral:X-c-p4-X @atom:* @atom:c @atom:p4 @atom:*
@dihedral:X-c-px-X @atom:* @atom:c @atom:px @atom:*
@dihedral:X-c-p5-X @atom:* @atom:c @atom:p5 @atom:*
@dihedral:X-c-py-X @atom:* @atom:c @atom:py @atom:*
@dihedral:X-c-sh-X @atom:* @atom:c @atom:sh @atom:*
@dihedral:X-c-ss-X @atom:* @atom:c @atom:ss @atom:*
@dihedral:X-c-s4-X @atom:* @atom:c @atom:s4 @atom:*
@dihedral:X-c-sx-X @atom:* @atom:c @atom:sx @atom:*
@dihedral:X-c-s6-X @atom:* @atom:c @atom:s6 @atom:*
@dihedral:X-c-sy-X @atom:* @atom:c @atom:sy @atom:*
@dihedral:X-c1-c1-X @atom:* @atom:c1 @atom:c1 @atom:*
@dihedral:X-c1-cg-X @atom:* @atom:c1 @atom:cg @atom:*
@dihedral:X-c1-ch-X @atom:* @atom:c1 @atom:ch @atom:*
@dihedral:X-cg-cg-X @atom:* @atom:cg @atom:cg @atom:*
@dihedral:X-ch-ch-X @atom:* @atom:ch @atom:ch @atom:*
@dihedral:X-cg-ch-X @atom:* @atom:cg @atom:ch @atom:*
@dihedral:X-c1-c2-X @atom:* @atom:c1 @atom:c2 @atom:*
@dihedral:X-c1-c3-X @atom:* @atom:c1 @atom:c3 @atom:*
@dihedral:X-c1-ca-X @atom:* @atom:c1 @atom:ca @atom:*
@dihedral:X-c1-cc-X @atom:* @atom:c1 @atom:cc @atom:*
@dihedral:X-c1-cd-X @atom:* @atom:c1 @atom:cd @atom:*
@dihedral:X-c1-ce-X @atom:* @atom:c1 @atom:ce @atom:*
@dihedral:X-c1-cf-X @atom:* @atom:c1 @atom:cf @atom:*
@dihedral:X-c1-cu-X @atom:* @atom:c1 @atom:cu @atom:*
@dihedral:X-c1-cv-X @atom:* @atom:c1 @atom:cv @atom:*
@dihedral:X-c1-cx-X @atom:* @atom:c1 @atom:cx @atom:*
@dihedral:X-c1-cy-X @atom:* @atom:c1 @atom:cy @atom:*
@dihedral:X-c1-n-X @atom:* @atom:c1 @atom:n @atom:*
@dihedral:X-c1-n2-X @atom:* @atom:c1 @atom:n2 @atom:*
@dihedral:X-c1-n3-X @atom:* @atom:c1 @atom:n3 @atom:*
@dihedral:X-c1-n4-X @atom:* @atom:c1 @atom:n4 @atom:*
@dihedral:X-c1-na-X @atom:* @atom:c1 @atom:na @atom:*
@dihedral:X-c1-nb-X @atom:* @atom:c1 @atom:nb @atom:*
@dihedral:X-c1-nc-X @atom:* @atom:c1 @atom:nc @atom:*
@dihedral:X-c1-nd-X @atom:* @atom:c1 @atom:nd @atom:*
@dihedral:X-c1-ne-X @atom:* @atom:c1 @atom:ne @atom:*
@dihedral:X-c1-nf-X @atom:* @atom:c1 @atom:nf @atom:*
@dihedral:X-c1-nh-X @atom:* @atom:c1 @atom:nh @atom:*
@dihedral:X-c1-no-X @atom:* @atom:c1 @atom:no @atom:*
@dihedral:X-c1-oh-X @atom:* @atom:c1 @atom:oh @atom:*
@dihedral:X-c1-os-X @atom:* @atom:c1 @atom:os @atom:*
@dihedral:X-c1-p2-X @atom:* @atom:c1 @atom:p2 @atom:*
@dihedral:X-c1-pb-X @atom:* @atom:c1 @atom:pb @atom:*
@dihedral:X-c1-pc-X @atom:* @atom:c1 @atom:pc @atom:*
@dihedral:X-c1-pd-X @atom:* @atom:c1 @atom:pd @atom:*
@dihedral:X-c1-pe-X @atom:* @atom:c1 @atom:pe @atom:*
@dihedral:X-c1-pf-X @atom:* @atom:c1 @atom:pf @atom:*
@dihedral:X-c1-p3-X @atom:* @atom:c1 @atom:p3 @atom:*
@dihedral:X-c1-p4-X @atom:* @atom:c1 @atom:p4 @atom:*
@dihedral:X-c1-px-X @atom:* @atom:c1 @atom:px @atom:*
@dihedral:X-c1-p5-X @atom:* @atom:c1 @atom:p5 @atom:*
@dihedral:X-c1-py-X @atom:* @atom:c1 @atom:py @atom:*
@dihedral:X-c1-s2-X @atom:* @atom:c1 @atom:s2 @atom:*
@dihedral:X-c1-sh-X @atom:* @atom:c1 @atom:sh @atom:*
@dihedral:X-c1-ss-X @atom:* @atom:c1 @atom:ss @atom:*
@dihedral:X-c1-s4-X @atom:* @atom:c1 @atom:s4 @atom:*
@dihedral:X-c1-sx-X @atom:* @atom:c1 @atom:sx @atom:*
@dihedral:X-c1-s6-X @atom:* @atom:c1 @atom:s6 @atom:*
@dihedral:X-c1-sy-X @atom:* @atom:c1 @atom:sy @atom:*
@dihedral:X-c2-c2-X @atom:* @atom:c2 @atom:c2 @atom:*
@dihedral:X-c2-ce-X @atom:* @atom:c2 @atom:ce @atom:*
@dihedral:X-c2-cf-X @atom:* @atom:c2 @atom:cf @atom:*
@dihedral:X-ce-cf-X @atom:* @atom:ce @atom:cf @atom:*
@dihedral:X-ce-ce-X @atom:* @atom:ce @atom:ce @atom:*
@dihedral:X-cf-cf-X @atom:* @atom:cf @atom:cf @atom:*
@dihedral:X-cc-cd-X @atom:* @atom:cc @atom:cd @atom:*
@dihedral:X-cc-cc-X @atom:* @atom:cc @atom:cc @atom:*
@dihedral:X-cd-cd-X @atom:* @atom:cd @atom:cd @atom:*
@dihedral:X-c2-c3-X @atom:* @atom:c2 @atom:c3 @atom:*
@dihedral:X-c2-ca-X @atom:* @atom:c2 @atom:ca @atom:*
@dihedral:X-c2-n-X @atom:* @atom:c2 @atom:n @atom:*
@dihedral:X-c2-n2-X @atom:* @atom:c2 @atom:n2 @atom:*
@dihedral:X-c2-ne-X @atom:* @atom:c2 @atom:ne @atom:*
@dihedral:X-c2-nf-X @atom:* @atom:c2 @atom:nf @atom:*
@dihedral:X-ce-ne-X @atom:* @atom:ce @atom:ne @atom:*
@dihedral:X-cf-nf-X @atom:* @atom:cf @atom:nf @atom:*
@dihedral:X-c2-nc-X @atom:* @atom:c2 @atom:nc @atom:*
@dihedral:X-c2-nd-X @atom:* @atom:c2 @atom:nd @atom:*
@dihedral:X-cc-nd-X @atom:* @atom:cc @atom:nd @atom:*
@dihedral:X-cd-nc-X @atom:* @atom:cd @atom:nc @atom:*
@dihedral:X-cc-nc-X @atom:* @atom:cc @atom:nc @atom:*
@dihedral:X-cd-nd-X @atom:* @atom:cd @atom:nd @atom:*
@dihedral:X-c2-n3-X @atom:* @atom:c2 @atom:n3 @atom:*
@dihedral:X-c2-n4-X @atom:* @atom:c2 @atom:n4 @atom:*
@dihedral:X-c2-na-X @atom:* @atom:c2 @atom:na @atom:*
@dihedral:X-cc-na-X @atom:* @atom:cc @atom:na @atom:*
@dihedral:X-cd-na-X @atom:* @atom:cd @atom:na @atom:*
@dihedral:X-c2-nh-X @atom:* @atom:c2 @atom:nh @atom:*
@dihedral:X-c2-no-X @atom:* @atom:c2 @atom:no @atom:*
@dihedral:X-c2-oh-X @atom:* @atom:c2 @atom:oh @atom:*
@dihedral:X-c2-os-X @atom:* @atom:c2 @atom:os @atom:*
@dihedral:X-c2-p2-X @atom:* @atom:c2 @atom:p2 @atom:*
@dihedral:X-c2-pe-X @atom:* @atom:c2 @atom:pe @atom:*
@dihedral:X-c2-pf-X @atom:* @atom:c2 @atom:pf @atom:*
@dihedral:X-ce-pf-X @atom:* @atom:ce @atom:pf @atom:*
@dihedral:X-ce-pe-X @atom:* @atom:ce @atom:pe @atom:*
@dihedral:X-cf-pf-X @atom:* @atom:cf @atom:pf @atom:*
@dihedral:X-c2-pc-X @atom:* @atom:c2 @atom:pc @atom:*
@dihedral:X-c2-pd-X @atom:* @atom:c2 @atom:pd @atom:*
@dihedral:X-cc-pc-X @atom:* @atom:cc @atom:pc @atom:*
@dihedral:X-cc-pd-X @atom:* @atom:cc @atom:pd @atom:*
@dihedral:X-cd-pc-X @atom:* @atom:cd @atom:pc @atom:*
@dihedral:X-cd-pd-X @atom:* @atom:cd @atom:pd @atom:*
@dihedral:X-c2-p3-X @atom:* @atom:c2 @atom:p3 @atom:*
@dihedral:X-c2-p4-X @atom:* @atom:c2 @atom:p4 @atom:*
@dihedral:X-ce-p4-X @atom:* @atom:ce @atom:p4 @atom:*
@dihedral:X-cf-p4-X @atom:* @atom:cf @atom:p4 @atom:*
@dihedral:X-c2-px-X @atom:* @atom:c2 @atom:px @atom:*
@dihedral:X-ce-px-X @atom:* @atom:ce @atom:px @atom:*
@dihedral:X-cf-px-X @atom:* @atom:cf @atom:px @atom:*
@dihedral:X-c2-p5-X @atom:* @atom:c2 @atom:p5 @atom:*
@dihedral:X-ce-p5-X @atom:* @atom:ce @atom:p5 @atom:*
@dihedral:X-cf-p5-X @atom:* @atom:cf @atom:p5 @atom:*
@dihedral:X-c2-py-X @atom:* @atom:c2 @atom:py @atom:*
@dihedral:X-ce-py-X @atom:* @atom:ce @atom:py @atom:*
@dihedral:X-cf-py-X @atom:* @atom:cf @atom:py @atom:*
@dihedral:X-c2-sh-X @atom:* @atom:c2 @atom:sh @atom:*
@dihedral:X-c2-ss-X @atom:* @atom:c2 @atom:ss @atom:*
@dihedral:X-c2-s4-X @atom:* @atom:c2 @atom:s4 @atom:*
@dihedral:X-ce-s4-X @atom:* @atom:ce @atom:s4 @atom:*
@dihedral:X-cf-s4-X @atom:* @atom:cf @atom:s4 @atom:*
@dihedral:X-c2-sx-X @atom:* @atom:c2 @atom:sx @atom:*
@dihedral:X-ce-sx-X @atom:* @atom:ce @atom:sx @atom:*
@dihedral:X-cf-sx-X @atom:* @atom:cf @atom:sx @atom:*
@dihedral:X-c2-s6-X @atom:* @atom:c2 @atom:s6 @atom:*
@dihedral:X-ce-s6-X @atom:* @atom:ce @atom:s6 @atom:*
@dihedral:X-cf-s6-X @atom:* @atom:cf @atom:s6 @atom:*
@dihedral:X-c2-sy-X @atom:* @atom:c2 @atom:sy @atom:*
@dihedral:X-ce-sy-X @atom:* @atom:ce @atom:sy @atom:*
@dihedral:X-cf-sy-X @atom:* @atom:cf @atom:sy @atom:*
@dihedral:X-c3-c3-X @atom:* @atom:c3 @atom:c3 @atom:*
@dihedral:X-cx-cx-X @atom:* @atom:cx @atom:cx @atom:*
@dihedral:X-cy-cy-X @atom:* @atom:cy @atom:cy @atom:*
@dihedral:X-c3-ca-X @atom:* @atom:c3 @atom:ca @atom:*
@dihedral:X-c3-n-X @atom:* @atom:c3 @atom:n @atom:*
@dihedral:X-cx-n-X @atom:* @atom:cx @atom:n @atom:*
@dihedral:X-cy-n-X @atom:* @atom:cy @atom:n @atom:*
@dihedral:X-c3-n2-X @atom:* @atom:c3 @atom:n2 @atom:*
@dihedral:X-c3-ne-X @atom:* @atom:c3 @atom:ne @atom:*
@dihedral:X-c3-nf-X @atom:* @atom:c3 @atom:nf @atom:*
@dihedral:X-c3-n3-X @atom:* @atom:c3 @atom:n3 @atom:*
@dihedral:X-c3-n4-X @atom:* @atom:c3 @atom:n4 @atom:*
@dihedral:X-c3-na-X @atom:* @atom:c3 @atom:na @atom:*
@dihedral:X-c3-nh-X @atom:* @atom:c3 @atom:nh @atom:*
@dihedral:X-c3-no-X @atom:* @atom:c3 @atom:no @atom:*
@dihedral:X-c3-oh-X @atom:* @atom:c3 @atom:oh @atom:*
@dihedral:X-c3-os-X @atom:* @atom:c3 @atom:os @atom:*
@dihedral:X-c3-p2-X @atom:* @atom:c3 @atom:p2 @atom:*
@dihedral:X-c3-pe-X @atom:* @atom:c3 @atom:pe @atom:*
@dihedral:X-c3-pf-X @atom:* @atom:c3 @atom:pf @atom:*
@dihedral:X-c3-p3-X @atom:* @atom:c3 @atom:p3 @atom:*
@dihedral:X-c3-p4-X @atom:* @atom:c3 @atom:p4 @atom:*
@dihedral:X-c3-px-X @atom:* @atom:c3 @atom:px @atom:*
@dihedral:X-c3-p5-X @atom:* @atom:c3 @atom:p5 @atom:*
@dihedral:X-c3-py-X @atom:* @atom:c3 @atom:py @atom:*
@dihedral:X-c3-sh-X @atom:* @atom:c3 @atom:sh @atom:*
@dihedral:X-c3-ss-X @atom:* @atom:c3 @atom:ss @atom:*
@dihedral:X-c3-s4-X @atom:* @atom:c3 @atom:s4 @atom:*
@dihedral:X-c3-sx-X @atom:* @atom:c3 @atom:sx @atom:*
@dihedral:X-c3-s6-X @atom:* @atom:c3 @atom:s6 @atom:*
@dihedral:X-c3-sy-X @atom:* @atom:c3 @atom:sy @atom:*
@dihedral:X-c3-cc-X @atom:* @atom:c3 @atom:cc @atom:*
@dihedral:X-c3-cd-X @atom:* @atom:c3 @atom:cd @atom:*
@dihedral:X-ca-ca-X @atom:* @atom:ca @atom:ca @atom:*
@dihedral:X-ca-cp-X @atom:* @atom:ca @atom:cp @atom:*
@dihedral:X-ca-cq-X @atom:* @atom:ca @atom:cq @atom:*
@dihedral:X-cp-cp-X @atom:* @atom:cp @atom:cp @atom:*
@dihedral:X-cq-cq-X @atom:* @atom:cq @atom:cq @atom:*
@dihedral:X-ca-n-X @atom:* @atom:ca @atom:n @atom:*
@dihedral:X-ca-n2-X @atom:* @atom:ca @atom:n2 @atom:*
@dihedral:X-ca-ne-X @atom:* @atom:ca @atom:ne @atom:*
@dihedral:X-ca-nf-X @atom:* @atom:ca @atom:nf @atom:*
@dihedral:X-ca-n4-X @atom:* @atom:ca @atom:n4 @atom:*
@dihedral:X-ca-na-X @atom:* @atom:ca @atom:na @atom:*
@dihedral:X-ca-nb-X @atom:* @atom:ca @atom:nb @atom:*
@dihedral:X-ca-nc-X @atom:* @atom:ca @atom:nc @atom:*
@dihedral:X-ca-nd-X @atom:* @atom:ca @atom:nd @atom:*
@dihedral:X-ca-nh-X @atom:* @atom:ca @atom:nh @atom:*
@dihedral:X-cc-nh-X @atom:* @atom:cc @atom:nh @atom:*
@dihedral:X-cd-nh-X @atom:* @atom:cd @atom:nh @atom:*
@dihedral:X-ca-no-X @atom:* @atom:ca @atom:no @atom:*
@dihedral:X-ca-oh-X @atom:* @atom:ca @atom:oh @atom:*
@dihedral:X-ca-os-X @atom:* @atom:ca @atom:os @atom:*
@dihedral:X-ca-p2-X @atom:* @atom:ca @atom:p2 @atom:*
@dihedral:X-ca-pe-X @atom:* @atom:ca @atom:pe @atom:*
@dihedral:X-ca-pf-X @atom:* @atom:ca @atom:pf @atom:*
@dihedral:X-ca-pc-X @atom:* @atom:ca @atom:pc @atom:*
@dihedral:X-ca-pd-X @atom:* @atom:ca @atom:pd @atom:*
@dihedral:X-ca-p3-X @atom:* @atom:ca @atom:p3 @atom:*
@dihedral:X-ca-p4-X @atom:* @atom:ca @atom:p4 @atom:*
@dihedral:X-ca-px-X @atom:* @atom:ca @atom:px @atom:*
@dihedral:X-ca-p5-X @atom:* @atom:ca @atom:p5 @atom:*
@dihedral:X-ca-py-X @atom:* @atom:ca @atom:py @atom:*
@dihedral:X-ca-sh-X @atom:* @atom:ca @atom:sh @atom:*
@dihedral:X-ca-ss-X @atom:* @atom:ca @atom:ss @atom:*
@dihedral:X-ca-s4-X @atom:* @atom:ca @atom:s4 @atom:*
@dihedral:X-ca-sx-X @atom:* @atom:ca @atom:sx @atom:*
@dihedral:X-ca-s6-X @atom:* @atom:ca @atom:s6 @atom:*
@dihedral:X-ca-sy-X @atom:* @atom:ca @atom:sy @atom:*
@dihedral:X-n-cc-X @atom:* @atom:n @atom:cc @atom:*
@dihedral:X-n-cd-X @atom:* @atom:n @atom:cd @atom:*
@dihedral:X-n-n-X @atom:* @atom:n @atom:n @atom:*
@dihedral:X-n-n2-X @atom:* @atom:n @atom:n2 @atom:*
@dihedral:X-n-ne-X @atom:* @atom:n @atom:ne @atom:*
@dihedral:X-n-nf-X @atom:* @atom:n @atom:nf @atom:*
@dihedral:X-n-n3-X @atom:* @atom:n @atom:n3 @atom:*
@dihedral:X-n-n4-X @atom:* @atom:n @atom:n4 @atom:*
@dihedral:X-n-na-X @atom:* @atom:n @atom:na @atom:*
@dihedral:X-n-nc-X @atom:* @atom:n @atom:nc @atom:*
@dihedral:X-n-nd-X @atom:* @atom:n @atom:nd @atom:*
@dihedral:X-n-nh-X @atom:* @atom:n @atom:nh @atom:*
@dihedral:X-n-no-X @atom:* @atom:n @atom:no @atom:*
@dihedral:X-n-oh-X @atom:* @atom:n @atom:oh @atom:*
@dihedral:X-n-os-X @atom:* @atom:n @atom:os @atom:*
@dihedral:X-n-p2-X @atom:* @atom:n @atom:p2 @atom:*
@dihedral:X-n-pe-X @atom:* @atom:n @atom:pe @atom:*
@dihedral:X-n-pf-X @atom:* @atom:n @atom:pf @atom:*
@dihedral:X-n-pc-X @atom:* @atom:n @atom:pc @atom:*
@dihedral:X-n-pd-X @atom:* @atom:n @atom:pd @atom:*
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@dihedral:X-pe-px-X @atom:* @atom:pe @atom:px @atom:*
@dihedral:X-pf-px-X @atom:* @atom:pf @atom:px @atom:*
@dihedral:X-p2-p5-X @atom:* @atom:p2 @atom:p5 @atom:*
@dihedral:X-pe-py-X @atom:* @atom:pe @atom:py @atom:*
@dihedral:X-pf-py-X @atom:* @atom:pf @atom:py @atom:*
@dihedral:X-p2-sh-X @atom:* @atom:p2 @atom:sh @atom:*
@dihedral:X-pe-sh-X @atom:* @atom:pe @atom:sh @atom:*
@dihedral:X-pf-sh-X @atom:* @atom:pf @atom:sh @atom:*
@dihedral:X-p2-ss-X @atom:* @atom:p2 @atom:ss @atom:*
@dihedral:X-pe-ss-X @atom:* @atom:pe @atom:ss @atom:*
@dihedral:X-pf-ss-X @atom:* @atom:pf @atom:ss @atom:*
@dihedral:X-p2-s4-X @atom:* @atom:p2 @atom:s4 @atom:*
@dihedral:X-pe-sx-X @atom:* @atom:pe @atom:sx @atom:*
@dihedral:X-pf-sx-X @atom:* @atom:pf @atom:sx @atom:*
@dihedral:X-p2-s6-X @atom:* @atom:p2 @atom:s6 @atom:*
@dihedral:X-pe-sy-X @atom:* @atom:pe @atom:sy @atom:*
@dihedral:X-pf-sy-X @atom:* @atom:pf @atom:sy @atom:*
@dihedral:X-p3-p3-X @atom:* @atom:p3 @atom:p3 @atom:*
@dihedral:X-p3-p4-X @atom:* @atom:p3 @atom:p4 @atom:*
@dihedral:X-p3-px-X @atom:* @atom:p3 @atom:px @atom:*
@dihedral:X-p3-p5-X @atom:* @atom:p3 @atom:p5 @atom:*
@dihedral:X-p3-py-X @atom:* @atom:p3 @atom:py @atom:*
@dihedral:X-p3-sh-X @atom:* @atom:p3 @atom:sh @atom:*
@dihedral:X-p3-ss-X @atom:* @atom:p3 @atom:ss @atom:*
@dihedral:X-p3-s4-X @atom:* @atom:p3 @atom:s4 @atom:*
@dihedral:X-p3-sx-X @atom:* @atom:p3 @atom:sx @atom:*
@dihedral:X-p3-s6-X @atom:* @atom:p3 @atom:s6 @atom:*
@dihedral:X-p3-sy-X @atom:* @atom:p3 @atom:sy @atom:*
@dihedral:X-p4-p4-X @atom:* @atom:p4 @atom:p4 @atom:*
@dihedral:X-px-px-X @atom:* @atom:px @atom:px @atom:*
@dihedral:X-p4-p5-X @atom:* @atom:p4 @atom:p5 @atom:*
@dihedral:X-px-py-X @atom:* @atom:px @atom:py @atom:*
@dihedral:X-p4-s4-X @atom:* @atom:p4 @atom:s4 @atom:*
@dihedral:X-px-sx-X @atom:* @atom:px @atom:sx @atom:*
@dihedral:X-p4-s6-X @atom:* @atom:p4 @atom:s6 @atom:*
@dihedral:X-px-sy-X @atom:* @atom:px @atom:sy @atom:*
@dihedral:X-p4-sh-X @atom:* @atom:p4 @atom:sh @atom:*
@dihedral:X-px-sh-X @atom:* @atom:px @atom:sh @atom:*
@dihedral:X-p4-ss-X @atom:* @atom:p4 @atom:ss @atom:*
@dihedral:X-px-ss-X @atom:* @atom:px @atom:ss @atom:*
@dihedral:X-p5-p5-X @atom:* @atom:p5 @atom:p5 @atom:*
@dihedral:X-py-py-X @atom:* @atom:py @atom:py @atom:*
@dihedral:X-p5-sh-X @atom:* @atom:p5 @atom:sh @atom:*
@dihedral:X-py-sh-X @atom:* @atom:py @atom:sh @atom:*
@dihedral:X-p5-ss-X @atom:* @atom:p5 @atom:ss @atom:*
@dihedral:X-py-ss-X @atom:* @atom:py @atom:ss @atom:*
@dihedral:X-p5-s4-X @atom:* @atom:p5 @atom:s4 @atom:*
@dihedral:X-py-sx-X @atom:* @atom:py @atom:sx @atom:*
@dihedral:X-p5-s6-X @atom:* @atom:p5 @atom:s6 @atom:*
@dihedral:X-py-sy-X @atom:* @atom:py @atom:sy @atom:*
@dihedral:X-sh-sh-X @atom:* @atom:sh @atom:sh @atom:*
@dihedral:X-sh-ss-X @atom:* @atom:sh @atom:ss @atom:*
@dihedral:X-sh-s4-X @atom:* @atom:sh @atom:s4 @atom:*
@dihedral:X-sh-sx-X @atom:* @atom:sh @atom:sx @atom:*
@dihedral:X-sh-s6-X @atom:* @atom:sh @atom:s6 @atom:*
@dihedral:X-sh-sy-X @atom:* @atom:sh @atom:sy @atom:*
@dihedral:X-ss-ss-X @atom:* @atom:ss @atom:ss @atom:*
@dihedral:X-ss-s4-X @atom:* @atom:ss @atom:s4 @atom:*
@dihedral:X-ss-sx-X @atom:* @atom:ss @atom:sx @atom:*
@dihedral:X-ss-s6-X @atom:* @atom:ss @atom:s6 @atom:*
@dihedral:X-ss-sy-X @atom:* @atom:ss @atom:sy @atom:*
@dihedral:X-s4-s4-X @atom:* @atom:s4 @atom:s4 @atom:*
@dihedral:X-sx-sx-X @atom:* @atom:sx @atom:sx @atom:*
@dihedral:X-s4-s6-X @atom:* @atom:s4 @atom:s6 @atom:*
@dihedral:X-sx-sy-X @atom:* @atom:sx @atom:sy @atom:*
@dihedral:X-s6-s6-X @atom:* @atom:s6 @atom:s6 @atom:*
@dihedral:X-sy-sy-X @atom:* @atom:sy @atom:sy @atom:*
@dihedral:X-cf-pe-X @atom:* @atom:cf @atom:pe @atom:*
@dihedral:X-nd-os-X @atom:* @atom:nd @atom:os @atom:*
@dihedral:X-nd-ss-X @atom:* @atom:nd @atom:ss @atom:*
@dihedral:X-nf-pe-X @atom:* @atom:nf @atom:pe @atom:*
@dihedral:c3-c-sh-hs @atom:c3 @atom:c @atom:sh @atom:hs
@dihedral:c3-c-sh-hs @atom:c3 @atom:c @atom:sh @atom:hs
@dihedral:c2-c2-ss-c3 @atom:c2 @atom:c2 @atom:ss @atom:c3
@dihedral:c2-c2-ss-c3 @atom:c2 @atom:c2 @atom:ss @atom:c3
@dihedral:c2-c2-n-c @atom:c2 @atom:c2 @atom:n @atom:c
@dihedral:c2-c2-n-c @atom:c2 @atom:c2 @atom:n @atom:c
@dihedral:c-n-p2-c2 @atom:c @atom:n @atom:p2 @atom:c2
@dihedral:c-n-p2-c2 @atom:c @atom:n @atom:p2 @atom:c2
@dihedral:n-c3-c-n @atom:n @atom:c3 @atom:c @atom:n
@dihedral:n-c3-c-n @atom:n @atom:c3 @atom:c @atom:n
@dihedral:c-n-c3-c @atom:c @atom:n @atom:c3 @atom:c
@dihedral:c-n-c3-c @atom:c @atom:n @atom:c3 @atom:c
@dihedral:c3-c3-n-c @atom:c3 @atom:c3 @atom:n @atom:c
@dihedral:c3-c3-n-c @atom:c3 @atom:c3 @atom:n @atom:c
@dihedral:c3-c3-n-c @atom:c3 @atom:c3 @atom:n @atom:c
@dihedral:c3-c3-c-n @atom:c3 @atom:c3 @atom:c @atom:n
@dihedral:c3-c3-c-n @atom:c3 @atom:c3 @atom:c @atom:n
@dihedral:c2-ne-p5-o @atom:c2 @atom:ne @atom:p5 @atom:o
@dihedral:c2-ne-p5-o @atom:c2 @atom:ne @atom:p5 @atom:o
@dihedral:c2-nf-p5-o @atom:c2 @atom:nf @atom:p5 @atom:o
@dihedral:c2-nf-p5-o @atom:c2 @atom:nf @atom:p5 @atom:o
@dihedral:ce-ne-p5-o @atom:ce @atom:ne @atom:p5 @atom:o
@dihedral:ce-ne-p5-o @atom:ce @atom:ne @atom:p5 @atom:o
@dihedral:ce-nf-p5-o @atom:ce @atom:nf @atom:p5 @atom:o
@dihedral:ce-nf-p5-o @atom:ce @atom:nf @atom:p5 @atom:o
@dihedral:cf-ne-p5-o @atom:cf @atom:ne @atom:p5 @atom:o
@dihedral:cf-ne-p5-o @atom:cf @atom:ne @atom:p5 @atom:o
@dihedral:cf-nf-p5-o @atom:cf @atom:nf @atom:p5 @atom:o
@dihedral:cf-nf-p5-o @atom:cf @atom:nf @atom:p5 @atom:o
@dihedral:hn-n-c-o @atom:hn @atom:n @atom:c @atom:o
@dihedral:hn-n-c-o @atom:hn @atom:n @atom:c @atom:o
@dihedral:c3-ss-ss-c3 @atom:c3 @atom:ss @atom:ss @atom:c3
@dihedral:c3-ss-ss-c3 @atom:c3 @atom:ss @atom:ss @atom:c3
@dihedral:c3-n3-nh-ca @atom:c3 @atom:n3 @atom:nh @atom:ca
@dihedral:c3-n3-nh-ca @atom:c3 @atom:n3 @atom:nh @atom:ca
@dihedral:c3-n3-p5-o @atom:c3 @atom:n3 @atom:p5 @atom:o
@dihedral:c3-n3-p5-o @atom:c3 @atom:n3 @atom:p5 @atom:o
@dihedral:ca-nh-oh-ho @atom:ca @atom:nh @atom:oh @atom:ho
@dihedral:ca-nh-oh-ho @atom:ca @atom:nh @atom:oh @atom:ho
@dihedral:oh-p5-os-c3 @atom:oh @atom:p5 @atom:os @atom:c3
@dihedral:oh-p5-os-c3 @atom:oh @atom:p5 @atom:os @atom:c3
@dihedral:os-p5-os-c3 @atom:os @atom:p5 @atom:os @atom:c3
@dihedral:os-p5-os-c3 @atom:os @atom:p5 @atom:os @atom:c3
@dihedral:h1-c3-c-o @atom:h1 @atom:c3 @atom:c @atom:o
@dihedral:h1-c3-c-o @atom:h1 @atom:c3 @atom:c @atom:o
@dihedral:hc-c3-c-o @atom:hc @atom:c3 @atom:c @atom:o
@dihedral:hc-c3-c-o @atom:hc @atom:c3 @atom:c @atom:o
@dihedral:hc-c3-c3-hc @atom:hc @atom:c3 @atom:c3 @atom:hc
@dihedral:hc-c3-c3-c3 @atom:hc @atom:c3 @atom:c3 @atom:c3
@dihedral:hc-c3-c2-c2 @atom:hc @atom:c3 @atom:c2 @atom:c2
@dihedral:hc-c3-c2-c2 @atom:hc @atom:c3 @atom:c2 @atom:c2
@dihedral:ho-oh-c3-c3 @atom:ho @atom:oh @atom:c3 @atom:c3
@dihedral:ho-oh-c3-c3 @atom:ho @atom:oh @atom:c3 @atom:c3
@dihedral:ho-oh-c-o @atom:ho @atom:oh @atom:c @atom:o
@dihedral:ho-oh-c-o @atom:ho @atom:oh @atom:c @atom:o
@dihedral:c2-c2-c-o @atom:c2 @atom:c2 @atom:c @atom:o
@dihedral:c2-c2-c-o @atom:c2 @atom:c2 @atom:c @atom:o
@dihedral:c3-c2-c2-c3 @atom:c3 @atom:c2 @atom:c2 @atom:c3
@dihedral:c3-c2-c2-c3 @atom:c3 @atom:c2 @atom:c2 @atom:c3
@dihedral:c3-c3-c3-c3 @atom:c3 @atom:c3 @atom:c3 @atom:c3
@dihedral:c3-c3-c3-c3 @atom:c3 @atom:c3 @atom:c3 @atom:c3
@dihedral:c3-c3-c3-c3 @atom:c3 @atom:c3 @atom:c3 @atom:c3
@dihedral:c3-c3-n3-c3 @atom:c3 @atom:c3 @atom:n3 @atom:c3
@dihedral:c3-c3-n3-c3 @atom:c3 @atom:c3 @atom:n3 @atom:c3
@dihedral:c3-c3-os-c3 @atom:c3 @atom:c3 @atom:os @atom:c3
@dihedral:c3-c3-os-c3 @atom:c3 @atom:c3 @atom:os @atom:c3
@dihedral:c3-c3-os-c @atom:c3 @atom:c3 @atom:os @atom:c
@dihedral:c3-c3-os-c @atom:c3 @atom:c3 @atom:os @atom:c
@dihedral:c3-os-c3-os @atom:c3 @atom:os @atom:c3 @atom:os
@dihedral:c3-os-c3-os @atom:c3 @atom:os @atom:c3 @atom:os
@dihedral:c3-os-c3-os @atom:c3 @atom:os @atom:c3 @atom:os
@dihedral:c3-os-c3-na @atom:c3 @atom:os @atom:c3 @atom:na
@dihedral:c3-os-c3-na @atom:c3 @atom:os @atom:c3 @atom:na
@dihedral:o-c-os-c3 @atom:o @atom:c @atom:os @atom:c3
@dihedral:o-c-os-c3 @atom:o @atom:c @atom:os @atom:c3
@dihedral:os-c3-na-c2 @atom:os @atom:c3 @atom:na @atom:c2
@dihedral:os-c3-na-c2 @atom:os @atom:c3 @atom:na @atom:c2
@dihedral:os-c3-c3-os @atom:os @atom:c3 @atom:c3 @atom:os
@dihedral:os-c3-c3-os @atom:os @atom:c3 @atom:c3 @atom:os
@dihedral:os-c3-c3-oh @atom:os @atom:c3 @atom:c3 @atom:oh
@dihedral:os-c3-c3-oh @atom:os @atom:c3 @atom:c3 @atom:oh
@dihedral:oh-c3-c3-oh @atom:oh @atom:c3 @atom:c3 @atom:oh
@dihedral:oh-c3-c3-oh @atom:oh @atom:c3 @atom:c3 @atom:oh
@dihedral:f-c3-c3-f @atom:f @atom:c3 @atom:c3 @atom:f
@dihedral:f-c3-c3-f @atom:f @atom:c3 @atom:c3 @atom:f
@dihedral:cl-c3-c3-cl @atom:cl @atom:c3 @atom:c3 @atom:cl
@dihedral:cl-c3-c3-cl @atom:cl @atom:c3 @atom:c3 @atom:cl
@dihedral:br-c3-c3-br @atom:br @atom:c3 @atom:c3 @atom:br
@dihedral:br-c3-c3-br @atom:br @atom:c3 @atom:c3 @atom:br
@dihedral:h1-c3-c3-os @atom:h1 @atom:c3 @atom:c3 @atom:os
@dihedral:h1-c3-c3-os @atom:h1 @atom:c3 @atom:c3 @atom:os
@dihedral:h1-c3-c3-oh @atom:h1 @atom:c3 @atom:c3 @atom:oh
@dihedral:h1-c3-c3-oh @atom:h1 @atom:c3 @atom:c3 @atom:oh
@dihedral:h1-c3-c3-f @atom:h1 @atom:c3 @atom:c3 @atom:f
@dihedral:h1-c3-c3-f @atom:h1 @atom:c3 @atom:c3 @atom:f
@dihedral:h1-c3-c3-cl @atom:h1 @atom:c3 @atom:c3 @atom:cl
@dihedral:h1-c3-c3-cl @atom:h1 @atom:c3 @atom:c3 @atom:cl
@dihedral:h1-c3-c3-br @atom:h1 @atom:c3 @atom:c3 @atom:br
@dihedral:h1-c3-c3-br @atom:h1 @atom:c3 @atom:c3 @atom:br
@dihedral:hc-c3-c3-os @atom:hc @atom:c3 @atom:c3 @atom:os
@dihedral:hc-c3-c3-os @atom:hc @atom:c3 @atom:c3 @atom:os
@dihedral:hc-c3-c3-oh @atom:hc @atom:c3 @atom:c3 @atom:oh
@dihedral:hc-c3-c3-oh @atom:hc @atom:c3 @atom:c3 @atom:oh
@dihedral:hc-c3-c3-f @atom:hc @atom:c3 @atom:c3 @atom:f
@dihedral:hc-c3-c3-f @atom:hc @atom:c3 @atom:c3 @atom:f
@dihedral:hc-c3-c3-cl @atom:hc @atom:c3 @atom:c3 @atom:cl
@dihedral:hc-c3-c3-cl @atom:hc @atom:c3 @atom:c3 @atom:cl
@dihedral:hc-c3-c3-br @atom:hc @atom:c3 @atom:c3 @atom:br
@dihedral:hc-c3-c3-br @atom:hc @atom:c3 @atom:c3 @atom:br
} # (end of Dihedrals By Type)
write_once("In Settings") {
improper_coeff @improper:X-o-c-o cvff 1.1 -1 2 # JCC,7,(1986),230
improper_coeff @improper:X-X-c-o cvff 10.5 -1 2 # JCC,7,(1986),230
improper_coeff @improper:X-X-ca-ha cvff 1.1 -1 2 # bsd.on C6H6 nmodes
improper_coeff @improper:X-X-n-hn cvff 1.1 -1 2 # JCC,7,(1986),230
improper_coeff @improper:X-X-n2-hn cvff 1.1 -1 2 # JCC,7,(1986),230
improper_coeff @improper:X-X-na-hn cvff 1.1 -1 2 # JCC,7,(1986),230
improper_coeff @improper:X-c3-n-c3 cvff 1.1 -1 2 # JCC,7,(1986),230
improper_coeff @improper:X-n2-ca-n2 cvff 10.5 -1 2 # JCC,7,(1986),230
improper_coeff @improper:c-c2-c2-c3 cvff 1.1 -1 2 # dac guess, 9/94
improper_coeff @improper:c-ca-ca-c3 cvff 1.1 -1 2 # dac guess, 9/94
improper_coeff @improper:c-c3-n-hn cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:c-c3-n-o cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:c2-c2-na-c3 cvff 1.1 -1 2 #
improper_coeff @improper:c2-c-c2-c3 cvff 1.1 -1 2 #
improper_coeff @improper:c2-c3-c2-hc cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:c2-c3-ca-hc cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:c2-hc-c-o cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:c3-o-c-oh cvff 1.1 -1 2 #
improper_coeff @improper:c3-c2-c2-n2 cvff 1.1 -1 2 #
improper_coeff @improper:c3-c2-c2-na cvff 1.1 -1 2 #
improper_coeff @improper:c3-ca-ca-n2 cvff 1.1 -1 2 #
improper_coeff @improper:c3-ca-ca-na cvff 1.1 -1 2 #
improper_coeff @improper:ca-ca-ca-c2 cvff 1.1 -1 2 #
improper_coeff @improper:ca-ca-ca-c3 cvff 1.1 -1 2 #
improper_coeff @improper:ca-ca-ca-f cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:ca-ca-ca-cl cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:ca-ca-ca-br cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:ca-ca-ca-i cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:ca-ca-c-oh cvff 1.1 -1 2 # (not used in tyr!)
improper_coeff @improper:ca-ca-na-c3 cvff 1.1 -1 2 #
improper_coeff @improper:ca-c-ca-c3 cvff 1.1 -1 2 #
improper_coeff @improper:ca-hc-c-o cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:ca-n2-ca-n2 cvff 1.1 -1 2 # dac, 10/94
improper_coeff @improper:hc-o-c-oh cvff 1.1 -1 2 # Junmei et al.1999
improper_coeff @improper:hc-o-c-os cvff 1.1 -1 2 #
improper_coeff @improper:n2-c2-ca-n2 cvff 1.1 -1 2 # dac guess, 9/94
improper_coeff @improper:n2-ca-ca-n2 cvff 1.1 -1 2 # dac guess, 9/94
improper_coeff @improper:na-n2-ca-n2 cvff 1.1 -1 2 # dac, 10/94
} # (end of improper_coeffs)
write_once("Data Impropers By Type (gaff_imp.py)") {
@improper:X-o-c-o @atom:* @atom:o @atom:c @atom:o
@improper:X-X-c-o @atom:* @atom:* @atom:c @atom:o
@improper:X-X-ca-ha @atom:* @atom:* @atom:ca @atom:ha
@improper:X-X-n-hn @atom:* @atom:* @atom:n @atom:hn
@improper:X-X-n2-hn @atom:* @atom:* @atom:n2 @atom:hn
@improper:X-X-na-hn @atom:* @atom:* @atom:na @atom:hn
@improper:X-c3-n-c3 @atom:* @atom:c3 @atom:n @atom:c3
@improper:X-n2-ca-n2 @atom:* @atom:n2 @atom:ca @atom:n2
@improper:c-c2-c2-c3 @atom:c @atom:c2 @atom:c2 @atom:c3
@improper:c-ca-ca-c3 @atom:c @atom:ca @atom:ca @atom:c3
@improper:c-c3-n-hn @atom:c @atom:c3 @atom:n @atom:hn
@improper:c-c3-n-o @atom:c @atom:c3 @atom:n @atom:o
@improper:c2-c2-na-c3 @atom:c2 @atom:c2 @atom:na @atom:c3
@improper:c2-c-c2-c3 @atom:c2 @atom:c @atom:c2 @atom:c3
@improper:c2-c3-c2-hc @atom:c2 @atom:c3 @atom:c2 @atom:hc
@improper:c2-c3-ca-hc @atom:c2 @atom:c3 @atom:ca @atom:hc
@improper:c2-hc-c-o @atom:c2 @atom:hc @atom:c @atom:o
@improper:c3-o-c-oh @atom:c3 @atom:o @atom:c @atom:oh
@improper:c3-c2-c2-n2 @atom:c3 @atom:c2 @atom:c2 @atom:n2
@improper:c3-c2-c2-na @atom:c3 @atom:c2 @atom:c2 @atom:na
@improper:c3-ca-ca-n2 @atom:c3 @atom:ca @atom:ca @atom:n2
@improper:c3-ca-ca-na @atom:c3 @atom:ca @atom:ca @atom:na
@improper:ca-ca-ca-c2 @atom:ca @atom:ca @atom:ca @atom:c2
@improper:ca-ca-ca-c3 @atom:ca @atom:ca @atom:ca @atom:c3
@improper:ca-ca-ca-f @atom:ca @atom:ca @atom:ca @atom:f
@improper:ca-ca-ca-cl @atom:ca @atom:ca @atom:ca @atom:cl
@improper:ca-ca-ca-br @atom:ca @atom:ca @atom:ca @atom:br
@improper:ca-ca-ca-i @atom:ca @atom:ca @atom:ca @atom:i
@improper:ca-ca-c-oh @atom:ca @atom:ca @atom:c @atom:oh
@improper:ca-ca-na-c3 @atom:ca @atom:ca @atom:na @atom:c3
@improper:ca-c-ca-c3 @atom:ca @atom:c @atom:ca @atom:c3
@improper:ca-hc-c-o @atom:ca @atom:hc @atom:c @atom:o
@improper:ca-n2-ca-n2 @atom:ca @atom:n2 @atom:ca @atom:n2
@improper:hc-o-c-oh @atom:hc @atom:o @atom:c @atom:oh
@improper:hc-o-c-os @atom:hc @atom:o @atom:c @atom:os
@improper:n2-c2-ca-n2 @atom:n2 @atom:c2 @atom:ca @atom:n2
@improper:n2-ca-ca-n2 @atom:n2 @atom:ca @atom:ca @atom:n2
@improper:na-n2-ca-n2 @atom:na @atom:n2 @atom:ca @atom:n2
} # (end of Impropers By Type)
write_once("In Init") {
# Default styles and settings for AMBER based force-fields:
units real
atom_style full
bond_style hybrid harmonic
angle_style hybrid harmonic
dihedral_style hybrid fourier
improper_style hybrid cvff
pair_style hybrid lj/charmm/coul/long 9.0 10.0 10.0
kspace_style pppm 0.0001
# NOTE: If you do not want to use long-range coulombic forces,
# comment out the two lines above and uncomment this line:
# pair_style hybrid lj/charmm/coul/charmm 9.0 10.0
pair_modify mix arithmetic
special_bonds amber
}
}
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