Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744483e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-1.278976924368180e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078134e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.207922650792170e-13 |
PASS |
Benzene Multipoles [step 0] |
1.174770128540850e-14 |
0.000000000000000e+00 |
1.000000000000000e-10 |
1.174770128540850e-14 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016639003e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
-3.269953752216281e-15 |
PASS |