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 | 0.81 | 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