Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744478e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-8.526512829121202e-14 |
PASS |
Benzene Energy [step 20] |
-3.744529289078126e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
1.989519660128281e-13 |
PASS |
Benzene Multipoles [step 0] |
1.135836270543870e-14 |
0.000000000000000e+00 |
1.000000000000000e-10 |
1.135836270543870e-14 |
PASS |
Benzene Multipoles [step 20] |
-9.520492016651753e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
-4.544975507059235e-15 |
PASS |