Input 06-vib_modes_fd.01-ground_state.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 |
-7.648126000000000e-01 |
-7.648124300000000e-01 |
3.820000000000000e-07 |
-1.699999999660307e-07 |
PASS |
| Eigenvalues |
-1.413520000000000e-01 |
-1.413520000000000e-01 |
7.070000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Dipole Moment |
2.245260000000000e+00 |
2.245260000000000e+00 |
1.120000000000000e-04 |
0.000000000000000e+00 |
PASS |