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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 6
  7           0       -3.514049    0.103303    0.000323
  6           0       -2.515789   -0.505582    0.000263
 16           0       -1.116863   -1.457409    0.000227
 26           0        0.543777    0.099646   -0.000011
 17           0        2.482136   -0.834986   -0.000463
 17           0        0.072257    2.190170    0.000040

-H -C -N -O -P -B -S -Al -Cl -He -F 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 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 0
sdd





