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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 54       1.842115      -0.000090       0.002750
 41      -1.157976       0.000085      -0.015943
 7      -3.101871      -0.000898      -0.210929
 7      -0.767501       1.764592      -0.829443
 7      -1.052090       0.003251       1.938554
 7      -0.767652      -1.766705      -0.824780
 1      -3.582061      -0.002738      -1.113121
 1      -3.778487       0.000341       0.550447
 1      -1.519805       2.435451      -0.986088
 1       0.085675       2.109174      -1.264095
 1      -0.972226       0.838741       2.520228
 1      -0.972272      -0.831085       2.521941
 1       0.085897      -2.112762      -1.257400
 1      -1.520129      -2.437459      -0.980563

-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


