Date:Thu May 07 09:10:13 2015

Average Errors in Predicted Dipole Moment for sets of Elements (Debye)

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

0.81

302

0.54

302

0.35

115

0.67

302

0.66

283

0.50

197

0.88

302

RM1

0.77

139

0.76

139

0.68

122

0.66

139

0.68

139

0.35

131

0.40

131

AM1

0.95

300

0.72

300

0.68

122

0.79

293

0.80

298

0.49

180

0.90

285

HCNO

0.36

48

0.38

48

0.23

48

0.25

48

0.25

48

0.33

48

0.33

48

CORE

0.40

98

0.31

98

0.26

87

0.29

98

0.32

98

0.32

98

0.37

98

H C O S

0.65

1

0.75

1

0.21

1

0.53

1

0.01

1

0.23

1

0.67

1

H C O P

-

-

-

-

-

-

-

-

-

-

-

-

-

-

EVERYTHING

1.13

548

0.97

548

0.68

122

0.79

310

0.80

298

0.50

197

0.88

302

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