HF
6.58
−0.32
0.38
6.60
B3LYP
−8.50
0.03
0.16
8.50
B3PW91
−8.66
0.03
0.12
8.66
|
|
|
|
|
|
| HF | 6.58 | −0.32 | 0.38 | 6.60 |
| B3LYP | −8.50 | 0.03 | 0.16 | 8.50 |
| B3PW91 | −8.66 | 0.03 | 0.12 | 8.66 |