| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Polarizability XX w=0.0 |
1.503497300000000e+01 |
1.503497300000000e+01 |
7.520000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Polarizability YY w=0.0 |
1.207834000000000e+01 |
1.207834000000000e+01 |
6.040000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Polarizability ZZ w=0.0 |
2.205098900000000e+01 |
2.205098900000000e+01 |
1.100000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Polarizability XX w=0.1 |
1.568035400000000e+01 |
1.568035400000000e+01 |
7.839999999999999e-06 |
0.000000000000000e+00 |
PASS |
| Polarizability YY w=0.1 |
1.254943700000000e+01 |
1.254943700000000e+01 |
6.270000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Polarizability ZZ w=0.1 |
2.751903300000000e+01 |
2.751903300000000e+01 |
1.380000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Cross sect. (avg) w=0.1 |
5.848379800000000e-03 |
5.848379800000000e-03 |
2.920000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Cross sect. (ani) w=0.1 |
1.166720400000000e-02 |
1.166720400000000e-02 |
5.830000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Hyperpolarizability w=0.0 |
-2.464957400000000e+01 |
-2.464957400000000e+01 |
1.230000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Hyperpolarizability w=0.1 Re |
7.510437600000000e+01 |
7.510437800000001e+01 |
3.760000000000000e-05 |
-2.000000009161340e-06 |
PASS |
| Hyperpolarizability w=0.1 Im |
-3.995411200000000e-01 |
-3.995405000000000e-01 |
2.000000000000000e-06 |
-6.200000000067263e-07 |
PASS |
| Born charge O XX w=0.0 |
-1.485190000000000e-01 |
-1.485190000000000e-01 |
7.430000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Born charge O YY w=0.0 |
-3.459000000000000e-01 |
-3.459000000000000e-01 |
1.730000000000000e-03 |
0.000000000000000e+00 |
PASS |
| Born charge O ZZ w=0.0 |
-3.269900000000000e-02 |
-3.269900000000000e-02 |
1.630000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge diff w=0.0 |
1.185000000000000e-02 |
1.185000000000000e-02 |
5.920000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O XX w=0.1 |
-1.921780000000000e-01 |
-1.921780000000000e-01 |
9.609999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Born charge O YY w=0.1 |
-4.029470000000000e-01 |
-4.029470000000000e-01 |
2.010000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O ZZ w=0.1 |
1.195110000000000e-01 |
1.195110000000000e-01 |
5.980000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Born charge diff w=0.1 |
-5.075000000000000e-02 |
-5.075000000000000e-02 |
2.540000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Born charge O XX w=-0.2 |
-3.508420000000000e-01 |
-3.508420000000000e-01 |
1.750000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O YY w=-0.2 |
-6.100790000000000e-01 |
-6.100790000000000e-01 |
3.050000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Born charge O ZZ w=-0.2 |
-1.772797000000000e+00 |
-1.772797000000000e+00 |
8.860000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Born charge diff w=-0.2 |
-1.415050000000000e-01 |
-1.415050000000000e-01 |
7.080000000000000e-06 |
0.000000000000000e+00 |
PASS |