Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578880864107e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-6.451196369994250e-06 |
PASS |
Benzene Energy [step 20] |
-3.744529933934507e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
-6.448563610206293e-06 |
PASS |
Benzene Multipoles [step 0] |
2.996862572808291e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
2.996862572808291e-15 |
PASS |
Benzene Multipoles [step 20] |
-9.520478523974686e-04 |
-9.520492016606303e-04 |
1.000000000000000e-07 |
1.349263161701947e-09 |
PASS |