Date:Sun Jul 12 11:36:02 2020

Average Unsigned Errors in Predicted Dipole Moment (Debye)
(Individual Species)

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

  1 Hydrogen

0.63

212

0.46

212

0.47

212

0.47

212

0.47

212

0.26

101

  3 Lithium

0.83

16

0.74

16

0.74

16

0.74

16

0.74

16

-

-

  4 Beryllium

1.39

1

1.63

1

1.63

1

1.63

1

1.62

1

-

-

  5 Boron

0.74

17

0.67

17

0.67

17

0.67

17

0.67

17

-

-

  6 Carbon

0.48

176

0.38

176

0.38

176

0.38

176

0.38

176

0.26

98

  7 Nitrogen

0.53

40

0.52

40

0.52

40

0.52

40

0.52

40

0.41

33

  8 Oxygen

0.78

64

0.59

64

0.59

64

0.58

64

0.60

64

0.32

42

  9 Fluorine

0.73

59

0.46

59

0.48

59

0.48

59

0.49

59

0.41

31

11 Sodium

0.92

6

1.23

6

1.23

6

1.23

6

1.23

6

-

-

13 Aluminum

0.17

1

0.41

1

0.41

1

0.41

1

0.41

1

-

-

14 Silicon

0.54

11

0.32

11

0.30

11

0.30

11

0.31

11

-

-

15 Phosphorus

1.32

10

0.56

10

0.57

10

0.57

10

0.57

10

0.58

10

16 Sulfur

0.76

21

0.54

21

0.54

21

0.54

21

0.54

21

0.59

14

17 Chlorine

0.75

45

0.63

45

0.64

45

0.62

45

0.63

45

0.63

9

19 Potassium

0.36

4

0.44

4

0.44

4

0.44

4

0.44

4

-

-

20 Calcium

1.79

4

0.49

4

0.49

4

0.49

4

0.49

4

-

-

30 Zinc

0.24

4

0.22

4

0.21

4

0.21

4

0.21

4

-

-

31 Gallium

0.40

1

0.20

1

0.20

1

0.20

1

0.20

1

-

-

32 Germanium

0.91

23

0.60

23

0.61

23

0.61

23

0.62

23

-

-

33 Arsenic

0.43

6

0.38

6

0.37

6

0.37

6

0.38

6

-

-

34 Selenium

0.84

10

0.68

10

0.68

10

0.68

10

0.68

10

-

-

35 Bromine

0.66

36

0.47

36

0.46

36

0.47

36

0.46

36

0.32

16

37 Rubidium

1.28

4

1.41

4

1.41

4

1.41

4

1.41

4

-

-

38 Strontium

3.27

6

1.66

6

1.87

6

1.92

6

1.97

6

-

-

48 Cadmium

0.93

2

0.43

2

0.43

2

0.43

2

0.43

2

-

-

49 Indium

2.95

3

0.52

3

0.51

3

0.51

3

0.51

3

-

-

50 Tin

1.01

13

0.25

13

0.27

13

0.28

13

0.27

13

-

-

51 Antimony

0.63

5

0.54

5

0.54

5

0.54

5

0.55

5

-

-

52 Tellurium

2.75

2

0.46

2

0.46

2

0.46

2

0.46

2

-

-

53 Iodine

1.90

25

0.79

25

0.78

25

0.78

25

0.78

25

0.40

8

55 Cesium

1.56

9

1.15

9

1.04

9

1.07

9

1.04

9

-

-

56 Barium

6.06

2

1.57

2

1.57

2

1.57

2

1.57

2

-

-

80 Mercury

0.85

9

0.63

9

0.63

9

0.63

9

0.63

9

-

-

81 Thallium

1.03

3

0.89

3

0.89

3

0.89

3

0.89

3

-

-

82 Lead

0.61

6

0.74

6

0.75

6

0.75

6

0.75

6

-

-

83 Bismuth

1.35

8

0.43

8

0.42

8

0.42

8

0.43

8

-

-

All elements,
avoiding double counting

0.81

302

0.54

302

0.54

302

0.54

302

0.55

302

0.34

131

Same as above, but
with double counting

0.76

864

0.52

864

0.53

864

0.53

864

0.53

864

0.33

362