µ and α components | HF/6-31G(d,p) | β components | HF/6-31G(d,p) |
µx | 0.104085 | βxxx | −91.4409918 |
µy | 0.2171718 | βxxy | −14.7087352 |
µz | −1.065635 | βxyy | −44.654681 |
µ(D) | 1.19357523 | βyyy | 0.6127935 |
αxx | 143.1369019 | βxxz | −65.4861453 |
αxy | 4.2163498 | βxyz | 17.3286849 |
αyy | 56.0399983 | βyyz | −2.0474112 |
αxz | −6.356907 | βxzz | 56.4680477 |
αyz | 17.5520362 | βyzz | 11.6736082 |
αzz | 96.5295611 | βzzz | −17.1315722 |
α(esu) | 14.607899 × 10−12 esu | β total (esu) | 1.0043389 × 10−30 esu |