Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578880864103e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-6.451196327361686e-06 |
PASS |
Benzene Energy [step 20] |
-3.744529933934501e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-6.448563553362874e-06 |
PASS |
Benzene Multipoles [step 0] |
2.053981346479414e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
2.053981346479414e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520478523976203e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
1.349263010022063e-09 |
PASS |