Type of component | Value with B3LYP/6-311++G |
µx | 0.883 |
µy | 1.2814 |
µz | −0.5843 |
µt | 1.5802 |
βxxx | −139.047 |
βxxy | −378.159 |
βxyy | 219.875 |
βyyy | −60.230 |
βxxz | 11.4849 |
βxyz | −3.733 |
βyyz | 9.092 |
βxzz | 1.599 |
βyzz | 22.057 |
βzzz | −22.35 |
βt | 3.66 |