Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744464e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
5.684341886080801e-14 |
PASS |
Benzene Energy [step 20] |
-3.744529289078127e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.847411112976260e-13 |
PASS |
Benzene Multipoles [step 0] |
5.966166988836511e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
5.966166988836511e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016701529e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
-9.522547680940185e-15 |
PASS |