Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744484e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-1.421085471520200e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078127e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.847411112976260e-13 |
PASS |
Benzene Multipoles [step 0] |
3.013331882784653e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
3.013331882784653e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016722809e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
-1.165061970509473e-14 |
PASS |