Date:Thu May 07 09:10:13 2015
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