Date:Thu May 07 09:10:13 2015

Average Errors in Predicted Heat of Formation for sets of Elements (kcal/mol)

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
MNDO

8.51

3145

6.68

3145

6.48

1733

16.65

3145

21.20

2998

19.07

2411

27.37

3145

RM1

21.32

1850

29.65

1850

28.52

1789

28.71

1850

33.11

1850

12.14

1790

19.91

1790

AM1

20.40

3163

21.13

3163

28.52

1789

29.11

3089

33.64

3127

19.25

2303

27.79

3029

HCNO

3.77

1141

4.46

1141

4.84

1141

5.58

1141

9.42

1141

11.83

1141

11.83

1141

CORE

4.01

1572

4.54

1572

5.13

1537

6.30

1572

9.90

1572

11.97

1572

15.72

1572

H C O S

4.95

49

5.73

49

7.68

49

14.57

49

16.95

49

10.58

49

100.09

49

H C O P

9.78

24

6.83

24

12.23

24

14.32

24

24.77

24

19.98

24

58.66

24

EVERYTHING

20.46

4417

18.97

4417

28.52

1789

28.47

3205

33.61

3132

19.05

2413

27.37

3145

Elements in MNDO:       H    Li Be B C N O F    Na Mg Al Si P S Cl K      Ca                           Zn Ga Ge As Se Br Rb Sr                              Cd In Sn Sb Te I    Cs Ba                                              Hg                        Tl Pb Bi
            RM1:        H            C N O F                P S Cl                                                    Br                                                   I          La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu
            AM1:        H    Li Be   C N O F    Na Mg Al Si P S Cl K      Ca                           Zn Ga Ge As Se Br Rb Sr            Mo                Cd In Sn Sb Te I    Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hg                        Tl Pb Bi
            HCNO:       H            C N O
            CORE:       H            C N O F                P S Cl                                                    Br                                                   I
            H C O S     H            C   O                    S
            H C O P     H            C   O                  P

            EVERYTHING: H He Li Be B C N O F Ne Na Mg Al Si P S Cl K Ar K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr Rb Sr Y Zr Nb Mo Tc Ru Rh Pd Ag Cd In Sn Sb Te I Kr Cs Ba La Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi