Date:Sun Jul 12 11:33:20 2020

Average Unsigned Errors in Predicted Intermolecular Interaction Energies in kcal/mol

Set

PM7

No. in set

PM6-D3H4

No. in set

PM6-D3H4X

No. in set

PM6

No. in set

PM6-DH2X

No. in set

PM6-DH+

No. in set
S22

0.76

22

0.62

22

0.62

22

3.38

22

0.38

22

0.58

22

S12L

23.64

12

10.71

12

10.71

12

13.36

12

10.67

12

10.48

12

S66

0.77

66

0.49

66

0.49

66

2.67

66

0.67

66

0.64

66

L7

6.45

7

3.91

7

3.91

7

11.19

7

9.12

7

9.12

7

Dimers of Water

0.45

10

0.32

10

0.32

10

0.66

10

0.37

10

1.50

10

X40

1.83

40

1.44

40

1.19

40

1.73

40

1.24

40

1.37

40

D3H4 Ionic

1.44

15

1.35

15

1.35

15

4.26

15

2.10

15

1.74

15

All

2.91

170

1.72

170

1.62

170

3.64

170

1.73

170

1.79

170