Date:Thu May 07 09:10:13 2015

Average Errors in Predicted Bond Lengths for sets of Elements (Angstroms)

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

0.088

2632

0.082

2633

0.038

495

0.103

2506

0.123

2324

0.094

1324

0.127

2465

    RM1

0.056

4715

0.067

4754

0.064

4267

0.067

4682

0.067

4519

0.034

590

0.051

635

    AM1

0.073

6605

0.078

6645

0.064

4267

0.084

6428

0.090

6303

0.100

1214

0.131

2352

    HCNO

0.019

313

0.018

313

0.016

221

0.018

264

0.021

262

0.019

251

0.021

265

    CORE

0.019

424

0.018

424

0.024

306

0.024

370

0.031

368

0.021

355

0.030

371

    H C O S

0.023

466

0.024

466

0.024

313

0.024

398

0.034

385

0.025

362

0.035

392

    H C O P

0.026

352

0.024

352

0.027

252

0.025

312

0.034

303

0.022

286

0.032

309

    EVERYTHING

0.080

9118

0.084

9157

0.064

4267

0.084

6543

0.090

6303

0.095

1328

0.127

2465

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