Date:Thu May 07 09:10:13 2015

Average Errors in Predicted Bond Angles for sets of Elements (Degrees)

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

6.02

912

6.70

912

3.89

217

8.30

915

8.10

854

5.74

483

9.09

917

    RM1

5.77

1206

6.15

1206

4.88

475

7.58

1208

7.25

1146

5.23

730

8.01

1168

    AM1

6.12

2143

6.50

2143

5.18

733

8.01

2120

7.71

2072

5.45

1168

8.55

2038

    HCNO

5.99

2224

6.36

2224

4.94

809

7.80

2201

7.50

2153

5.29

1249

8.34

2119

    CORE

5.77

2380

6.12

2380

4.71

950

7.47

2357

7.19

2309

5.15

1406

7.99

2276

    H C O S

5.64

2508

5.97

2508

4.60

1070

7.25

2484

6.99

2435

5.11

1533

7.77

2403

    H C O P

5.56

2590

5.88

2590

4.50

1147

7.10

2566

6.84

2517

5.08

1617

7.64

2487

    EVERYTHING

6.58

4284

6.68

4284

4.73

1405

7.48

3525

7.23

3443

5.23

2100

8.03

3404

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