Rutas Elementos químicos.

#T Na Mg Al Si P S Cl
HF/STO-3G 3.08 1.1046 -0.59 3.71 5.8324 6.4963 13.977
HF/6-311G 4.94 6.6048 5.5 7.66 9.6572 10.0611 14.479
MP4/6-311G 4.8216 7.4389 5.27 8.26 9.4422 10.367 14.4295
MP4/6-311G(d,p) 4.94 7.4635 5.71 7.81 9.766 10.471 11.033
Exp:

Elementos HOMO-PI(ev)
H 13.6
He 5.63
Li 5.3394
Be 8.4045
B 9.6393
C 11.8083
N 12.9422
O 15.7564
F 34.2885
Ne 22.8993
Na 4.4506
Mg 6.8826
Al 5.71
Si 6.595
P 10.6434
Si 11.6441
Cl 13.9005
Ar 16.0578
K 4.0125
Ca 5.3197
Sc 5.8161
Ti 6.2337
V 6.6121
Cr 6.9697
Mn 6.8227
Fe 6.9388
Co 5.8125
Ni 1.9326
Cu 7.6783
Zn 7.7697
Ga 5.6401
Ge 7.7831
As 8.3609
Se 10.0841
Br 12.391
Kr 14.2185