| Name |
Value |
Reference |
Precision |
Difference |
Status |
| eigenvalue [1] |
-6.444700000000000e+00 |
-6.444755000000000e+00 |
6.000000000000000e-05 |
5.499999999969418e-05 |
PASS |
| electrons-solvent int. energy |
3.066000000000000e-05 |
3.085000000000000e-05 |
2.090000000000000e-07 |
-1.900000000000033e-07 |
PASS |
| nuclei-solvent int. energy |
-3.070000000000000e-05 |
-3.110000000000000e-05 |
1.560000000000000e-06 |
4.000000000000029e-07 |
PASS |
| molecule-solvent int. energy |
-4.000000000000000e-08 |
-4.000000000000000e-08 |
2.000000000000000e-07 |
0.000000000000000e+00 |
PASS |
| electronic pol. charge |
-9.871174200000000e-01 |
-9.871171399999999e-01 |
4.940000000000000e-07 |
-2.800000000746650e-07 |
PASS |
| nuclear pol. charge |
9.871387600000000e-01 |
9.871387600000000e-01 |
4.940000000000000e-07 |
0.000000000000000e+00 |
PASS |