Date:Thu Mar 11 09:02:31 2021

Average Unsigned Errors in Predicted Bond Angles (Degrees)
(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

Lithium

6.95

28

8.45

28

9.98

28

5.02

28

7.93

28

-

-

Beryllium

4.58

15

6.51

15

6.27

15

6.15

15

6.42

15

-

-

Boron

5.60

31

3.09

31

3.03

31

3.03

31

3.03

31

-

-

Carbon

2.28

134

2.34

134

2.36

134

2.36

134

2.35

134

2.85

117

Nitrogen

4.55

35

6.27

35

6.08

35

5.79

35

6.04

35

5.16

25

Oxygen

8.52

51

13.69

51

13.11

51

13.05

51

13.19

51

7.07

24

Fluorine

3.11

3

8.89

3

8.14

3

8.14

3

8.23

3

20.47

1

Sodium

11.18

4

20.78

4

21.01

4

21.01

4

21.05

4

-

-

Magnesium

7.25

24

7.19

24

7.77

24

7.21

24

8.17

24

-

-

Aluminum

5.97

19

3.59

19

3.78

19

3.76

19

3.68

19

-

-

Silicon

4.28

34

6.64

34

6.57

34

6.57

34

6.54

34

-

-

Phosphorus

5.61

42

3.37

42

3.37

42

3.39

42

3.41

42

3.12

31

Sulfur

4.15

40

3.59

40

3.41

40

3.40

40

3.44

40

2.48

35

Chlorine

0.92

4

3.74

4

3.67

4

3.52

4

3.57

4

16.49

3

Potassium

7.60

11

8.22

11

11.25

11

9.53

11

8.43

11

-

-

Calcium

10.34

16

12.43

16

12.02

16

9.88

16

11.84

16

-

-

Zinc

9.56

24

9.39

24

9.35

24

8.73

24

8.97

24

-

-

Gallium

3.26

17

4.04

17

4.03

17

3.46

17

4.03

17

-

-

Germanium

3.22

53

4.57

53

4.48

53

4.15

53

4.54

53

-

-

Arsenic

4.07

36

5.46

36

5.37

36

5.36

36

5.56

36

-

-

Selenium

6.90

21

7.61

21

7.63

21

7.62

21

7.67

21

-

-

Bromine

2.82

3

13.61

3

13.55

3

12.50

3

13.61

3

22.28

3

Rubidium

14.63

11

8.35

11

8.46

11

8.50

11

7.12

11

-

-

Strontium

12.08

25

12.23

23

13.29

23

12.84

23

12.79

23

-

-

Cadmium

10.75

10

10.51

10

11.81

10

10.75

10

10.85

10

-

-

Indium

6.76

18

4.49

17

4.59

17

3.99

17

4.39

17

-

-

Tin

4.07

34

3.16

34

3.16

34

3.13

34

3.19

34

-

-

Antimony

4.60

55

6.08

54

5.96

54

6.04

54

6.04

54

-

-

Tellurium

6.71

25

5.01

25

5.01

25

4.99

25

5.01

25

-

-

Iodine

11.05

1

8.47

1

8.33

1

8.33

1

8.42

1

0.03

1

Cesium

8.71

12

7.64

12

9.34

12

7.95

12

7.39

12

-

-

Barium

12.64

7

18.67

7

19.02

7

18.95

7

18.08

7

-

-

Mercury

11.47

15

18.05

15

17.65

15

17.89

15

20.67

15

-

-

Thallium

7.48

10

9.16

10

8.50

10

8.50

10

8.29

10

-

-

Lead

3.65

20

4.12

20

3.30

20

3.41

20

3.63

20

-

-

Bismuth

6.97

25

7.72

25

7.84

25

6.78

25

7.55

25

-

-

All elements,
avoiding double counting

5.68

913

6.32

909

6.38

909

6.02

909

6.28

909

3.97

240
All elements

5.68

913

6.32

909

6.38

909

6.02

909

6.28

909

3.97

240