| Name |
Value |
Reference |
Precision |
Difference |
Status |
| eigenvalue [1] |
-6.339627000000000e+00 |
-6.339656500000000e+00 |
3.250000000000000e-05 |
2.950000000012665e-05 |
PASS |
| electrons-solvent int. energy |
3.093000000000000e-05 |
3.104000000000000e-05 |
1.210000000000000e-07 |
-1.100000000000040e-07 |
PASS |
| nuclei-solvent int. energy |
-3.098000000000000e-05 |
-3.109000000000000e-05 |
1.210000000000000e-07 |
1.100000000000040e-07 |
PASS |
| molecule-solvent int. energy |
-5.000000000000000e-08 |
-5.000000000000000e-08 |
5.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
| electronic pol. charge |
-9.871172200000000e-01 |
-9.871171450000000e-01 |
8.250000000000000e-08 |
-7.499999998827889e-08 |
PASS |
| nuclear pol. charge |
9.871387600000000e-01 |
9.871387600000000e-01 |
4.940000000000000e-07 |
0.000000000000000e+00 |
PASS |