Date:Thu May 07 09:10:13 2015

Average Errors in Predicted Ionization Potential for sets of Elements (eV)

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

0.55

379

0.50

379

0.44

214

0.67

380

0.63

364

0.60

295

0.85

380

RM1

0.47

229

0.47

229

0.44

214

0.50

229

0.56

229

0.54

229

0.74

229

AM1

0.55

368

0.50

368

0.44

214

0.66

369

0.63

364

0.59

285

0.85

369

HCNO

0.42

92

0.42

92

0.37

92

0.50

92

0.44

92

0.61

92

0.61

92

CORE

0.41

180

0.40

180

0.36

169

0.46

180

0.50

180

0.47

180

0.70

180

H C O S

0.21

2

0.41

2

0.26

2

0.35

2

0.42

2

0.09

2

0.81

2

H C O P

0.34

1

0.61

1

0.44

1

0.55

1

1.01

1

0.26

1

1.52

1

EVERYTHING

0.54

380

0.50

380

0.44

214

0.67

380

0.63

364

0.60

295

0.85

380

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