Input 02-h2o_pol_lr.01_h2o_gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.606669135000000e+01 |
-1.606669135000000e+01 |
8.030000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Eigenvalues |
-1.167471000000000e+00 |
-1.167471000000000e+00 |
5.840000000000000e-06 |
2.220446049250313e-16 |
PASS |
| Dipole |
3.661240000000000e-01 |
3.661240000000000e-01 |
1.830000000000000e-05 |
0.000000000000000e+00 |
PASS |