Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578880864121e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-6.451196512102797e-06 |
PASS |
Benzene Energy [step 20] |
-3.744529933934537e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-6.448563908634242e-06 |
PASS |
Benzene Multipoles [step 0] |
-8.127491297456084e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
-8.127491297456084e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520478524068427e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
1.349253787581543e-09 |
PASS |