Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744481e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-1.065814103640150e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078135e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.136868377216160e-13 |
PASS |
Benzene Multipoles [step 0] |
2.037866549509638e-14 |
0.000000000000000e+00 |
1.000000000000000e-10 |
2.037866549509638e-14 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016569475e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
3.682817939498761e-15 |
PASS |