Date:Thu May 07 10:28:01 2015

Average Errors in Predicted Ionization Potential (eV) (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

0.49

226

0.42

226

0.34

154

0.60

226

0.52

217

0.55

196

0.80

226

  3 Lithium

0.50

11

0.86

11

-

-

1.29

11

0.59

11

1.25

9

0.92

11

  4 Beryllium

0.72

6

0.55

6

-

-

0.92

6

0.45

6

0.63

6

0.30

6

  5 Boron

0.42

11

0.32

11

-

-

1.01

11

-

-

0.85

10

0.96

11

  6 Carbon

0.48

230

0.41

230

0.36

169

0.54

230

0.54

227

0.51

205

0.79

230

  7 Nitrogen

0.50

43

0.59

43

0.45

40

0.53

43

0.48

42

0.59

42

0.58

43

  8 Oxygen

0.58

72

0.62

72

0.57

63

0.63

72

0.69

69

0.72

67

0.76

72

  9 Fluorine

0.65

67

0.64

67

0.55

48

0.70

68

0.86

66

0.58

59

0.74

68

11 Sodium

0.77

3

0.23

3

-

-

0.89

3

0.39

2

0.73

3

0.75

3

12 Magnesium

0.79

4

0.97

4

-

-

1.10

4

1.41

4

1.08

4

1.37

4

13 Aluminum

0.57

3

0.62

3

-

-

0.41

4

1.01

4

0.52

3

1.19

4

14 Silicon

0.38

11

0.43

11

-

-

0.70

11

0.68

11

1.00

11

0.87

11

15 Phosphorus

0.78

13

0.46

13

0.42

12

0.64

13

0.56

13

0.65

13

1.25

13

16 Sulfur

0.53

46

0.53

46

0.58

45

0.45

46

0.61

46

0.65

45

0.64

46

17 Chlorine

0.47

61

0.43

61

0.59

26

0.57

60

0.61

57

0.61

44

1.18

60

19 Potassium

0.89

3

0.25

3

-

-

0.69

3

0.34

2

-

-

0.21

3

20 Calcium

0.52

1

0.73

1

-

-

0.52

1

0.41

1

-

-

0.16

1

22 Titanium

0.29

1

0.09

1

-

-

-

-

-

-

-

-

-

-

30 Zinc

0.47

5

0.31

5

-

-

0.98

5

0.49

5

0.65

5

1.09

5

31 Gallium

0.15

3

0.51

3

-

-

1.28

3

1.16

3

-

-

1.11

3

32 Germanium

0.85

13

0.70

13

-

-

0.93

13

1.05

13

-

-

1.44

13

33 Arsenic

0.61

5

0.69

5

-

-

0.62

5

0.78

5

-

-

1.07

5

34 Selenium

0.75

10

0.38

10

-

-

0.47

10

1.22

10

-

-

0.44

10

35 Bromine

0.33

33

0.28

33

-

-

1.20

33

0.48

32

0.36

22

0.95

33

37 Rubidium

0.55

3

0.18

3

-

-

0.93

3

0.22

3

-

-

0.50

3

38 Strontium

0.75

1

0.63

1

-

-

0.14

1

0.26

1

-

-

0.00

1

48 Cadmium

0.75

5

0.33

5

-

-

0.39

5

-

-

0.52

5

0.57

5

49 Indium

0.33

2

0.64

2

-

-

2.06

2

0.83

2

-

-

1.18

2

50 Tin

0.84

14

0.70

14

-

-

1.22

14

0.44

14

-

-

1.68

14

51 Antimony

0.56

5

0.45

5

-

-

1.17

5

0.54

5

-

-

1.17

5

52 Tellurium

0.92

3

0.43

3

-

-

0.25

3

0.70

3

-

-

0.90

3

53 Iodine

0.40

29

0.47

29

0.21

13

0.48

29

0.89

29

0.32

20

1.03

29

55 Cesium

0.60

4

0.58

4

-

-

0.99

5

1.28

5

-

-

0.96

5

56 Barium

0.42

1

0.08

1

-

-

0.08

1

0.75

1

-

-

1.28

1

80 Mercury

0.69

12

0.51

12

-

-

0.74

12

0.49

12

0.45

12

1.07

12

81 Thallium

0.73

3

0.30

3

-

-

0.85

3

0.53

3

-

-

0.53

3

82 Lead

0.89

13

0.53

13

-

-

0.98

13

0.65

13

-

-

1.36

13

83 Bismuth

0.75

5

0.99

5

-

-

0.62

5

1.66

5

-

-

0.51

5

All elements,
avoiding double counting

0.54

380

0.50

380

0.44

214

0.67

380

0.63

364

0.60

295

0.85

380

Same as above, but
with double counting

0.53

981

0.48

981

0.43

570

0.65

982

0.61

942

0.58

781

0.85

982

*