Date:Thu Mar 11 09:02:25 2021

Average Unsigned Errors in Predicted Ionization Potential for sets of Elements (eV)

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

0.43

36

0.38

36

0.38

36

0.38

36

0.38

36

0.31

36

H C N

0.37

18

0.34

18

0.34

18

0.34

18

0.34

18

0.25

18

H C O

0.37

28

0.41

28

0.42

28

0.42

28

0.42

28

0.47

28

H C N O

0.59

5

0.63

5

0.64

5

0.64

5

0.64

5

0.46

5

H C P

0.80

4

0.24

4

0.24

4

0.24

4

0.24

4

0.15

4

H C S

0.26

16

0.23

16

0.23

16

0.23

16

0.23

16

0.24

16

H C F

0.40

14

0.36

14

0.37

14

0.37

14

0.37

14

0.44

14

H C Cl

0.19

3

0.39

3

0.39

3

0.39

3

0.39

3

0.11

3

H C Br

0.17

7

0.23

7

0.23

7

0.23

7

0.23

7

0.12

7

H C I

0.27

9

0.44

9

0.45

9

0.45

9

0.45

9

0.21

9