Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578880864127e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-6.451196568946216e-06 |
PASS |
Benzene Energy [step 20] |
-3.744529933934525e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-6.448563794947404e-06 |
PASS |
Benzene Multipoles [step 0] |
-1.226866768226279e-14 |
0.000000000000000e+00 |
1.000000000000000e-10 |
-1.226866768226279e-14 |
PASS |
Benzene Multipoles [step 20] |
-9.520478524106422e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
1.349249988103450e-09 |
PASS |