Property from Zn0952.out
Orbital Summary
nl occ E KE <1/r> <r>
1s 2.00 -350.4349 438.3372 29.6134 0.0509
2s 2.00 -42.8635 84.2179 6.4990 0.2276
2p 6.00 -38.0715 84.0250 6.4754 0.1972
3s 2.00 -4.9959 18.8220 2.0784 0.6811
3p 6.00 -3.4181 17.1057 1.9570 0.7023
3d 10.00 -0.6922 12.3060 1.6068 0.8306
4s 2.00 -0.3265 1.5551 0.5064 2.6030
Energy Summary
kinetic energy = 1815.7087
potential energy = -3595.2649
one-electron energy = -2506.0114
two-electron energy = 726.4552
total energy = -1779.5562
virial ratio = -1.9801
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