Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578880864118e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-6.451196483681088e-06 |
PASS |
Benzene Energy [step 20] |
-3.744529933934518e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-6.448563716787703e-06 |
PASS |
Benzene Multipoles [step 0] |
-1.198745029123316e-16 |
0.000000000000000e+00 |
1.000000000000000e-10 |
-1.198745029123316e-16 |
PASS |
Benzene Multipoles [step 20] |
-9.520478523995544e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
1.349261075913807e-09 |
PASS |