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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
 16      -2.236301       1.357683       0.000000
 6      -2.223902       2.568099      -1.248217
 6      -2.223902       3.829212      -0.717169
 6      -2.223902       3.829212       0.717169
 6      -2.223902       2.568099       1.248217
 1      -2.214011       2.272562      -2.289238
 1      -2.222632       4.729418      -1.322580
 1      -2.222632       4.729418       1.322580
 1      -2.214011       2.272562       2.289238
 80       0.490333      -0.566233       0.000000
 53       0.554728      -0.633924       2.665958
 53       0.554728      -0.633924      -2.665958

-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


