HF
19.03
−2.78
13.52
0.67
0.16
40.61
24.39
B3LYP
21.37
−3.16
12.35
0.36
0.28
52.88
28.87
B3PW91
21.26
−3.17
12.48
0.31
0.16
52.90
28.88
|
|
|
|
|
|
|
|
|
| HF | 19.03 | −2.78 | 13.52 | 0.67 | 0.16 | 40.61 | 24.39 |
| B3LYP | 21.37 | −3.16 | 12.35 | 0.36 | 0.28 | 52.88 | 28.87 |
| B3PW91 | 21.26 | −3.17 | 12.48 | 0.31 | 0.16 | 52.90 | 28.88 |