Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744475e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-4.973799150320701e-14 |
PASS |
Benzene Energy [step 20] |
-3.744529289078129e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.705302565824240e-13 |
PASS |
Benzene Multipoles [step 0] |
1.713212767803238e-14 |
0.000000000000000e+00 |
1.000000000000000e-10 |
1.713212767803238e-14 |
PASS |
Benzene Multipoles [step 20] |
9.520492016933422e-04 |
9.520492016833351e-04 |
1.000000000000000e-07 |
1.000707763182396e-14 |
PASS |