| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913501e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
-1.625366508051229e-13 |
PASS |
| Energy [step 25] |
-6.135833855826099e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
-1.465494392505207e-13 |
PASS |
| Energy [step 50] |
-6.135833840061063e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
-1.572075802869222e-13 |
PASS |
| Energy [step 75] |
-6.135833822836716e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
-1.580957587066223e-13 |
PASS |
| Energy [step 100] |
-6.135833799613117e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
-1.723066134218243e-13 |
PASS |
| Multipoles [step 0] |
2.428279100256042e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
1.419969288173417e-11 |
PASS |
| Multipoles [step 100] |
-1.498424253125816e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
-5.545558803832229e-12 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
-3.808450555492418e-18 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-3.460618500149175e-17 |
PASS |
| Spin Sz [step 0] |
5.000000000000200e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
1.709743457922741e-14 |
PASS |
| Spin Sz [step 100] |
4.999999982204986e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
1.382227665658320e-14 |
PASS |
| Partial charges 1 [step 0] |
4.995525530904851e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
1.104838442955725e-12 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559053326e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
-2.932099008035038e-13 |
PASS |
| Partial charges 2 [step 0] |
4.995525527258018e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
-1.090738610542985e-12 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905439758e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
2.972067036921544e-13 |
PASS |