Name |
Value |
Reference |
Precision |
Difference |
Status |
Benzene Energy [step 0] |
-3.744578235744484e+01 |
-3.744578235744470e+01 |
1.000000000000000e-04 |
-1.421085471520200e-13 |
PASS |
Benzene Energy [step 20] |
-3.744529289078125e+01 |
-3.744529289078146e+01 |
1.000000000000000e-04 |
2.131628207280301e-13 |
PASS |
Benzene Multipoles [step 0] |
3.013331882784653e-15 |
0.000000000000000e+00 |
1.000000000000000e-10 |
3.013331882784653e-15 |
PASS |
Benzene Multipoles [step 20] |
9.520492016797202e-04 |
9.520492016833351e-04 |
1.000000000000000e-07 |
-3.614946883501169e-15 |
PASS |