Date:Thu May 07 10:28:00 2015

Average Errors in Predicted Bond Angles (Degrees) (Back)
(Individual Species)

Set

PM7

No. in set

PM6

No. in set

RM1

No. in set

PM3

No. in set

AM1

No. in set

MNDOD

No. in set

MNDO

No. in set

Lithium

7.08

28

8.19

28

-

-

3.46

28

9.82

28

12.41

28

7.76

28

Beryllium

4.62

15

6.25

15

-

-

6.59

15

6.00

15

4.40

15

5.07

15

Boron

5.60

31

3.08

31

-

-

4.50

31

-

-

2.62

31

2.96

31

Carbon

2.68

137

2.48

137

2.86

103

2.75

134

2.24

134

2.13

126

2.19

134

Nitrogen

5.91

37

7.49

37

5.07

24

6.71

35

7.89

31

5.44

33

4.35

35

Oxygen

9.60

57

13.21

57

6.79

26

10.45

53

7.25

43

17.26

42

12.05

53

Fluorine

3.54

3

8.15

3

20.38

1

18.39

3

23.29

2

31.21

1

23.60

3

Sodium

11.18

4

21.01

4

-

-

3.44

4

5.32

4

6.89

4

4.97

4

Magnesium

8.61

24

7.76

24

-

-

13.14

24

7.02

24

5.35

24

6.32

24

Aluminum

6.49

20

3.69

20

-

-

7.19

19

4.41

19

3.43

17

4.55

19

Silicon

4.26

35

6.65

35

-

-

2.70

34

2.89

34

2.39

34

3.05

34

Phosphorus

5.65

42

3.38

42

3.17

26

6.22

42

5.68

41

2.56

33

5.05

43

Sulfur

4.37

44

4.44

44

2.59

34

5.42

41

5.04

41

4.15

37

6.60

40

Chlorine

2.44

5

4.36

5

17.11

4

13.90

5

14.50

5

14.80

5

14.92

5

Potassium

9.96

11

12.83

11

-

-

11.32

11

15.16

11

-

-

16.52

11

Calcium

13.10

16

15.29

16

-

-

15.82

16

17.43

16

-

-

30.91

16

Scandium

15.40

33

7.97

33

-

-

-

-

-

-

-

-

-

-

Titanium

4.10

38

6.09

38

-

-

-

-

-

-

-

-

-

-

Vanadium

5.55

44

6.88

44

-

-

-

-

-

-

-

-

-

-

Chromium

7.50

18

8.33

18

-

-

-

-

-

-

-

-

-

-

Manganese

8.17

27

7.83

27

-

-

-

-

-

-

-

-

-

-

Iron

6.05

30

11.15

30

-

-

-

-

-

-

-

-

-

-

Cobalt

3.05

26

9.95

26

-

-

-

-

-

-

-

-

-

-

Nickel

20.62

50

8.00

50

-

-

-

-

-

-

-

-

-

-

Copper

20.08

48

14.81

48

-

-

-

-

-

-

-

-

-

-

Zinc

9.76

24

10.24

24

-

-

6.49

24

13.33

24

4.47

24

13.89

24

Gallium

3.38

17

5.02

17

-

-

14.61

17

10.41

17

-

-

6.60

17

Germanium

3.40

53

4.57

53

-

-

8.73

53

5.78

53

-

-

4.75

53

Arsenic

4.21

36

5.37

36

-

-

5.32

36

4.95

36

-

-

6.94

36

Selenium

6.59

22

7.48

22

-

-

10.90

21

4.37

21

-

-

18.20

21

Bromine

7.01

4

12.80

4

-

-

19.21

3

3.31

3

1.66

3

18.64

3

Rubidium

11.22

11

9.56

11

-

-

16.70

11

7.41

11

-

-

15.59

11

Strontium

13.33

23

13.50

23

-

-

34.49

25

25.72

23

-

-

30.10

25

Yttrium

12.67

33

13.00

33

-

-

-

-

-

-

-

-

-

-

Zirconium

18.25

12

10.99

12

-

-

-

-

-

-

-

-

-

-

Niobium

10.09

23

6.61

23

-

-

-

-

-

-

-

-

-

-

Molybdenum

9.85

27

8.33

27

-

-

-

-

8.41

27

-

-

-

-

Technetium

5.69

22

4.87

22

-

-

-

-

-

-

-

-

-

-

Ruthenium

11.51

34

8.62

34

-

-

-

-

-

-

-

-

-

-

Rhodium

3.84

17

9.44

17

-

-

-

-

-

-

-

-

-

-

Palladium

12.66

45

9.83

45

-

-

-

-

-

-

-

-

-

-

Silver

12.20

11

25.38

11

-

-

-

-

-

-

-

-

-

-

Cadmium

11.98

10

15.26

10

-

-

19.09

10

-

-

6.66

10

18.98

10

Indium

6.78

17

4.65

17

-

-

6.16

18

6.00

18

-

-

6.09

18

Tin

4.13

34

3.16

34

-

-

4.00

34

12.32

34

-

-

5.42

34

Antimony

4.85

54

7.11

54

-

-

8.74

55

6.40

55

-

-

8.34

55

Tellurium

6.68

25

4.89

25

-

-

5.59

25

6.36

25

-

-

8.18

25

Iodine

6.23

3

14.64

3

0.03

1

20.66

1

4.53

1

0.41

1

3.83

1

Cesium

10.54

12

11.37

12

-

-

13.65

12

14.19

12

-

-

10.03

12

Barium

20.25

7

19.58

7

-

-

20.19

7

20.74

7

-

-

23.89

7

Lanthanum

19.57

14

17.48

14

24.54

13

19.40

14

19.38

14

-

-

-

-

Neodymium

1.55

1

0.21

1

-

-

7.03

1

0.96

1

-

-

-

-

Ytterbium

11.66

1

8.59

1

16.93

1

8.14

1

13.40

1

-

-

-

-

Lutetium

13.55

26

8.50

26

11.50

25

10.01

26

8.75

26

-

-

-

-

Hafnium

5.15

10

3.95

10

-

-

-

-

-

-

-

-

-

-

Tantalum

13.53

15

10.96

15

-

-

-

-

-

-

-

-

-

-

Tungsten

6.64

9

10.99

9

-

-

-

-

-

-

-

-

-

-

Rhenium

8.73

32

7.23

32

-

-

-

-

-

-

-

-

-

-

Osmium

7.98

10

14.37

10

-

-

-

-

-

-

-

-

-

-

Iridium

11.22

19

10.23

19

-

-

-

-

-

-

-

-

-

-

Platinum

4.98

72

5.57

72

-

-

-

-

-

-

-

-

-

-

Gold

10.97

16

11.06

16

-

-

-

-

-

-

-

-

-

-

Mercury

16.31

15

19.38

15

-

-

17.51

15

19.50

15

18.94

15

23.64

15

Thallium

7.07

10

11.55

10

-

-

20.94

10

16.94

10

-

-

23.72

10

Lead

4.54

20

4.42

20

-

-

5.31

20

5.22

19

-

-

7.81

20

Bismuth

7.26

25

8.08

25

-

-

8.21

25

26.35

25

-

-

28.29

25

All elements,
avoiding double counting

8.13

1694

7.91

1694

5.72

258

8.49

959

8.29

926

5.74

483

9.09

917

All elements

8.13

1694

7.91

1694

5.72

258

8.49

959

8.29

926

5.74

483

9.09

917

*