Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744453e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
1.705302565824240e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078152e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-5.684341886080801e-14 |
PASS |
Benzene Multipoles [step 0] |
-3.557323540162215e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
-3.557323540162215e-15 |
PASS |
Benzene Multipoles [step 20] |
9.520492016715415e-04 |
9.520492016833351e-04 |
1.000000000000000e-07 |
-1.179362597164557e-14 |
PASS |