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# DATE: 2015-07-05 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov CITATION: Zhou, Ward, and Foster, J. Comp. Chem. (2015), DOI: 10.1002/jcc.23949
2
6 1.20100000e+01 C
29 6.35500000e+01 Cu
2000 7 2000
1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-02 1.00e-05
1.99998421e+00
0.00000000e+00
2.37000000e+00
2.99999703e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
5.00000000e-01 0.00000000e+00 1.00000000e+06
3.73600000e+00
6.30356740e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00
5.00000000e-01 0.00000000e+00 1.00000000e+06
3.05300000e+00
9.96029190e-01 0.00000000e+00 1.00000000e+00 1.00000000e+00
0.00000000e+00 0.00000000e+00
5.88245233e-01 -4.29170149e+01 1.00000000e+06
3.16255710e-01 1.12568317e+00 6.20143374e-01 -2.96880277e+00 -2.06082024e+00
5.10346502e+00 1.32466267e+00 -2.46058693e+00
3.61196992e-01 7.99990382e-01 -1.61187374e-01 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00
5.82167916e-01 6.31300285e-01 -2.13468201e-01 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00
7.55570927e-01 5.50006907e-01 -3.05577833e-01 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00
-6.95073984e-03 6.63661868e-01 3.43288871e-01 0.00000000e+00 0.00000000e+00
0.00000000e+00 0.00000000e+00 0.00000000e+00
1.80469879e-01 -1.41771576e-03 3.62224426e-01 2.35730379e+00 -1.74062935e-01
-2.92505648e+00 -1.01927309e-03 1.20155830e+00
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