No.
Mol.
Exp.
G3MP2
DFT
G3Dev
DFTDev
01
54.5
54.0
58.2
−0.5
3.7
02
73.0
68.8
70.6
−4.2
−2.4
03
128.0
129.5
130.2
1.5
2.2
04
85.0
81.7
82.8
−3.3
−2.2
05
90.0
88.4
87.9
−1.6
−2.1
06
19.8
19.2
17.8
−0.6
−2.0
07
53.5
50.8
52.2
−2.7
−1.3
08
80.4
80.7
80.9
0.3
0.5
09
135.7
134.6
136.8
−1.1
1.1
10
53.0
51.4
53.5
−1.6
0.5
11
35.3
34.3
34.5
−1.0
−0.8
12
48.0
46.9
47.1
−1.1
−0.9
13
150.0
146.7
150.9
−3.3
0.9
14
49.0
47.0
47.0
−2.0
−2.0
15
66.0
60.3
61.5
−5.7
−4.5
16
60.0
57.0
58.6
−3.0
−1.4
17
64.0
62.0
65.7
−2.0
1.7
18
28.0
28.5
32.0
0.5
4.0
19
33.0
27.4
31.8
−5.6
−1.2
20
36.0
32.2
35.1
−3.8
−0.9