%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 16      -1.484850       1.584833       0.000000
 6      -0.522174       2.355400      -1.263571
 6       0.414988       3.181227      -0.720376
 6       0.414988       3.181227       0.720376
 6      -0.522174       2.355400       1.263571
 1      -0.761666       2.176321      -2.304135
 1       1.090735       3.780480      -1.321073
 1       1.090735       3.780480       1.321073
 1      -0.761666       2.176321       2.304135
 40       0.035249      -0.712160       0.000000
 8       1.899052      -0.283904       0.000000
 8      -0.522174      -1.614602      -1.591399
 8      -0.522174      -1.614602       1.591399
 6       3.309962      -0.149894       0.000000
 6      -0.794390      -2.477055      -2.687052
 6      -0.794390      -2.477055       2.687052
 1       3.562869       0.916158       0.000000
 1       3.725848      -0.622779       0.895631
 1       3.725848      -0.622779      -0.895631
 1      -1.159352      -3.439267      -2.313967
 1      -1.561535      -2.016754      -3.317994
 1       0.119110      -2.626867      -3.271315
 1       0.119110      -2.626867       3.271315
 1      -1.561535      -2.016754       3.317994
 1      -1.159352      -3.439267       2.313967

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


