| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Polarizability XX w=0.0 |
1.524429000000000e+01 |
1.524429000000000e+01 |
7.620000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Polarizability YY w=0.0 |
1.232871100000000e+01 |
1.232871100000000e+01 |
6.160000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Polarizability ZZ w=0.0 |
2.311649300000000e+01 |
2.311649300000000e+01 |
1.160000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Polarizability XX w=0.1 |
1.593725800000000e+01 |
1.593725800000000e+01 |
7.970000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Polarizability YY w=0.1 |
1.285047500000000e+01 |
1.285047500000000e+01 |
6.430000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Polarizability ZZ w=0.1 |
2.946297300000000e+01 |
2.946297300000000e+01 |
1.470000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Cross sect. (avg) w=0.1 |
6.912314600000000e-03 |
6.912314600000000e-03 |
3.460000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Cross sect. (ani) w=0.1 |
1.401977000000000e-02 |
1.401977000000000e-02 |
7.010000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Hyperpolarizability w=0.0 |
-2.312694700000000e+01 |
-2.312694700000000e+01 |
1.160000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Hyperpolarizability w=0.1 Re |
8.686811800000000e+01 |
8.686812300000000e+01 |
5.280000000000000e-05 |
-5.000000001587068e-06 |
PASS |
| Hyperpolarizability w=0.1 Im |
-4.440397900000000e-01 |
-4.440360400000000e-01 |
9.130000000000001e-06 |
-3.749999999969056e-06 |
PASS |
| Born charge O XX w=0.0 |
-1.510270000000000e-01 |
-1.510270000000000e-01 |
7.550000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Born charge O YY w=0.0 |
-3.490330000000000e-01 |
-3.490330000000000e-01 |
1.750000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O ZZ w=0.0 |
-3.299400000000000e-02 |
-3.299400000000000e-02 |
1.650000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge diff w=0.0 |
9.382000000000000e-03 |
9.382000000000000e-03 |
4.690000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Born charge O XX w=0.1 |
-1.963020000000000e-01 |
-1.963020000000000e-01 |
9.819999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Born charge O YY w=0.1 |
-4.078800000000000e-01 |
-4.078800000000000e-01 |
2.040000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Born charge O ZZ w=0.1 |
1.328250000000000e-01 |
1.328250000000000e-01 |
6.640000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Born charge diff w=0.1 |
-5.633600000000000e-02 |
-5.633600000000000e-02 |
2.820000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O XX w=-0.2 |
-3.665740000000000e-01 |
-3.665740000000000e-01 |
1.830000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O YY w=-0.2 |
-6.263290000000000e-01 |
-6.263300000000001e-01 |
3.130000000000000e-04 |
1.000000000028756e-06 |
PASS |
| Born charge O ZZ w=-0.2 |
-1.699748000000000e+00 |
-1.699754000000000e+00 |
8.500000000000000e-06 |
5.999999999950489e-06 |
PASS |
| Born charge diff w=-0.2 |
-1.558660000000000e-01 |
-1.558670000000000e-01 |
7.790000000000000e-06 |
1.000000000001000e-06 |
PASS |