Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744473e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-2.842170943040401e-14 |
PASS |
Benzene Energy [step 20] |
-3.744529289078122e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
2.415845301584341e-13 |
PASS |
Benzene Multipoles [step 0] |
8.654939110270343e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
8.654939110270343e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016659861e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
-5.355741891643895e-15 |
PASS |