Date:Thu May 07 10:28:00 2015

Average Errors in Predicted Dipole Moment (Debye) (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

  1 Hydrogen

0.74

254

0.60

254

0.30

92

0.59

213

0.52

195

0.42

153

0.71

212

  3 Lithium

0.83

16

0.74

16

-

-

0.63

16

0.46

16

1.67

16

0.80

16

  4 Beryllium

1.39

1

1.63

1

-

-

0.26

1

0.53

1

0.08

1

0.08

1

  5 Boron

0.74

17

0.67

17

-

-

0.74

17

-

-

0.56

17

0.60

17

  6 Carbon

0.63

219

0.52

219

0.30

88

0.42

177

0.46

166

0.42

135

0.44

176

  7 Nitrogen

0.66

48

0.59

48

0.41

33

0.46

40

0.55

39

0.66

38

0.64

40

  8 Oxygen

1.15

181

1.12

181

0.63

42

1.05

66

0.87

67

0.42

46

1.23

64

  9 Fluorine

1.05

115

0.89

115

1.03

31

0.96

62

1.07

57

0.42

42

0.90

59

11 Sodium

0.92

6

1.23

6

-

-

1.55

6

1.13

6

0.44

6

1.16

6

13 Aluminum

0.17

1

0.41

1

-

-

1.76

1

0.53

1

0.94

1

1.22

1

14 Silicon

0.54

11

0.30

11

-

-

0.65

11

0.33

11

0.40

11

1.02

11

15 Phosphorus

1.18

14

0.84

14

0.58

10

0.37

10

0.86

10

0.38

10

0.81

10

16 Sulfur

1.22

28

0.79

28

0.59

14

0.71

21

0.71

21

0.42

15

0.60

21

17 Chlorine

1.23

100

1.40

100

2.19

11

1.08

48

1.29

44

0.59

22

0.96

45

19 Potassium

0.36

4

0.44

4

-

-

1.30

4

0.58

4

-

-

0.49

4

20 Calcium

1.79

4

0.49

4

-

-

1.21

4

0.24

4

-

-

0.12

4

21 Scandium

1.44

9

3.47

9

-

-

-

-

-

-

-

-

-

-

22 Titanium

1.85

8

1.56

8

-

-

-

-

-

-

-

-

-

-

23 Vanadium

2.01

8

1.18

8

-

-

-

-

-

-

-

-

-

-

24 Chromium

1.07

8

1.52

8

-

-

-

-

-

-

-

-

-

-

25 Manganese

1.40

10

1.12

10

-

-

-

-

-

-

-

-

-

-

26 Iron

1.00

14

1.56

14

-

-

-

-

-

-

-

-

-

-

27 Cobalt

1.53

6

1.03

6

-

-

-

-

-

-

-

-

-

-

28 Nickel

1.51

15

1.74

15

-

-

-

-

-

-

-

-

-

-

29 Copper

1.88

10

1.12

10

-

-

-

-

-

-

-

-

-

-

30 Zinc

0.24

4

0.21

4

-

-

0.16

4

0.16

4

0.20

4

0.18

4

31 Gallium

0.40

1

0.20

1

-

-

1.35

1

0.64

1

-

-

1.00

1

32 Germanium

0.91

23

0.61

23

-

-

0.54

23

0.58

23

-

-

1.33

23

33 Arsenic

0.43

6

0.37

6

-

-

0.35

6

0.37

6

-

-

0.95

6

34 Selenium

0.84

10

0.68

10

-

-

0.61

10

0.78

10

-

-

1.40

10

35 Bromine

1.03

86

0.93

86

-

-

0.91

37

0.56

39

0.34

22

0.97

36

37 Rubidium

1.28

4

1.41

4

-

-

1.00

4

0.27

4

-

-

0.67

4

38 Strontium

3.28

6

1.85

6

-

-

2.72

6

1.88

6

-

-

4.02

6

39 Yttrium

3.32

8

1.71

8

-

-

-

-

-

-

-

-

-

-

40 Zirconium

2.33

8

1.07

8

-

-

-

-

-

-

-

-

-

-

41 Niobium

0.94

10

0.95

10

-

-

-

-

-

-

-

-

-

-

42 Molybdenum

1.06

7

0.98

7

-

-

-

-

0.98

7

-

-

-

-

43 Technetium

1.48

13

1.69

13

-

-

-

-

-

-

-

-

-

-

44 Ruthenium

1.21

12

1.12

12

-

-

-

-

-

-

-

-

-

-

45 Rhodium

1.79

6

2.06

6

-

-

-

-

-

-

-

-

-

-

46 Palladium

1.47

8

1.38

8

-

-

-

-

-

-

-

-

-

-

47 Silver

0.39

5

1.16

5

-

-

-

-

-

-

-

-

-

-

48 Cadmium

0.93

2

0.43

2

-

-

0.68

2

-

-

1.21

2

0.21

2

49 Indium

2.95

3

0.51

3

-

-

0.74

3

1.36

3

-

-

0.94

3

50 Tin

1.01

13

0.27

13

-

-

0.88

13

0.80

13

-

-

0.93

13

51 Antimony

0.63

5

0.54

5

-

-

0.43

5

0.59

5

-

-

0.43

5

52 Tellurium

2.75

2

0.46

2

-

-

0.31

2

1.35

2

-

-

6.45

2

53 Iodine

1.74

73

1.17

73

0.34

7

1.13

25

1.00

27

0.80

12

1.40

25

55 Cesium

1.56

9

1.04

9

-

-

2.50

9

1.00

9

-

-

4.15

9

56 Barium

6.06

2

1.57

2

-

-

0.99

2

1.35

2

-

-

1.52

2

57 Lanthanum

5.66

8

7.19

8

6.19

7

5.52

8

5.53

8

-

-

-

-

72 Hafnium

1.83

6

0.64

6

-

-

-

-

-

-

-

-

-

-

73 Tantalum

0.63

5

0.98

5

-

-

-

-

-

-

-

-

-

-

74 Tungsten

1.09

14

1.04

14

-

-

-

-

-

-

-

-

-

-

75 Rhenium

1.14

13

0.66

13

-

-

-

-

-

-

-

-

-

-

76 Osmium

0.96

7

0.75

7

-

-

-

-

-

-

-

-

-

-

77 Iridium

1.29

8

1.36

8

-

-

-

-

-

-

-

-

-

-

78 Platinum

0.52

8

1.06

8

-

-

-

-

-

-

-

-

-

-

79 Gold

0.93

12

0.96

12

-

-

-

-

-

-

-

-

-

-

80 Mercury

0.85

9

0.63

9

-

-

0.63

9

0.68

9

0.67

9

0.68

9

81 Thallium

1.03

3

0.89

3

-

-

0.45

3

2.43

3

-

-

2.40

3

82 Lead

0.61

6

0.75

6

-

-

0.41

6

0.82

6

-

-

1.76

6

83 Bismuth

1.35

8

0.42

8

-

-

1.12

8

4.15

8

-

-

2.25

8

All elements,
avoiding double counting

1.13

548

0.97

548

0.68

122

0.79

310

0.80

298

0.50

197

0.88

302

Same as above, but
with double counting

1.06

1540

0.93

1540

0.63

335

0.77

883

0.76

837

0.49

562

0.88

864

*