Date:Thu Mar 11 09:02:25 2021

Average Unsigned Errors in Predicted Heat of Formation for sets of Elements (kcal/mol)

Set

PM7

No. in set

PM6-D3H4

No. in set

PM6

No. in set

PM6-DH2X

No. in set

PM6-DH+

No. in set

RM1

No. in set
H C

4.18

307

16.76

307

4.74

307

5.34

307

5.35

307

4.97

307

H C N

3.33

212

9.47

212

3.66

212

3.75

212

3.75

212

4.40

212

H C O

3.41

371

11.08

371

4.32

371

4.63

371

4.64

371

4.57

371

H C N O

3.78

234

8.68

234

4.63

234

5.06

234

5.08

234

5.25

234

H C P

6.67

10

9.25

10

6.90

10

7.76

10

7.76

10

9.71

10

H C S

2.45

59

9.84

59

3.56

59

4.15

59

4.16

59

3.62

59

H C F

4.66

32

5.33

32

3.91

32

3.86

32

3.86

32

5.28

32

H C Cl

2.34

44

4.26

44

2.46

44

2.48

44

2.48

44

2.00

44

H C Br

1.80

16

8.45

16

2.11

16

2.28

16

2.28

16

1.13

16

H C I

1.61

28

5.89

28

2.12

28

2.28

28

2.28

28

1.42

28