Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744477e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-7.105427357601002e-14 |
PASS |
Benzene Energy [step 20] |
-3.744529289078133e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.278976924368180e-13 |
PASS |
Benzene Multipoles [step 0] |
2.277615555334301e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
2.277615555334301e-15 |
PASS |
Benzene Multipoles [step 20] |
9.520492016788367e-04 |
9.520492016833351e-04 |
1.000000000000000e-07 |
-4.498463233859606e-15 |
PASS |