Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744495e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-2.557953848736361e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078139e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
7.105427357601002e-14 |
PASS |
Benzene Multipoles [step 0] |
-6.832846666002902e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
-6.832846666002902e-15 |
PASS |
Benzene Multipoles [step 20] |
9.520492016695583e-04 |
9.520492016833351e-04 |
1.000000000000000e-07 |
-1.377684858555606e-14 |
PASS |