| Name |
Value |
Reference |
Precision |
Difference |
Status |
| eigenvalue [1] |
-6.341133000000000e+00 |
-6.339657000000000e+00 |
1.690000000000000e-03 |
-1.476000000000255e-03 |
PASS |
| electrons-solvent int. energy |
3.089000000000000e-05 |
3.104000000000000e-05 |
1.650000000000000e-07 |
-1.500000000000036e-07 |
PASS |
| nuclei-solvent int. energy |
-3.094000000000000e-05 |
-3.110000000000000e-05 |
1.560000000000000e-06 |
1.600000000000052e-07 |
PASS |
| molecule-solvent int. energy |
-5.000000000000000e-08 |
-5.000000000000000e-08 |
5.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
| electronic pol. charge |
-9.871172499999999e-01 |
-9.871171399999999e-01 |
4.940000000000000e-07 |
-1.099999999976120e-07 |
PASS |
| nuclear pol. charge |
9.871387600000000e-01 |
9.871387600000000e-01 |
4.940000000000000e-07 |
0.000000000000000e+00 |
PASS |