Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744486e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-1.563194018672220e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078128e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.776356839400250e-13 |
PASS |
Benzene Multipoles [step 0] |
4.211805497577813e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
4.211805497577813e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016724104e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
-1.178007344448950e-14 |
PASS |