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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 45       0.026677       0.015131       0.053430
 8       1.834176       0.359225       1.440398
 8      -0.626246       1.925043      -0.458159
 8       0.245349      -2.052541      -0.165514
 8       1.404565       0.156024      -1.510967
 8      -1.592659      -0.057252       1.351148
 1       1.830159       0.991630       2.177903
 1       2.695853       0.456547       0.999625
 1      -1.028619       2.472561       0.255670
 1      -1.361420       1.506258      -0.969131
 1      -0.608562      -2.088004      -0.660434
 1       0.229617      -2.693064       0.584001
 1       1.161844       0.915843      -2.092799
 1       1.312217      -0.649048      -2.075986
 1      -2.133932      -0.328756       0.570974
 1      -1.648800      -0.745873       2.055850
 8      -1.471289      -0.395369      -1.063161

-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


