### DATE: 2015-07-06 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Zhou, Ward, and Foster, J. Comp. Chem., in press 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 1.00000000e-01 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 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