%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 46           0        0.000006   -0.105794    0.000000
 15           0        0.000006    0.088311   -2.341043
  1           0        0.000240   -1.119170   -3.068306
  1           0       -1.088973    0.761885   -2.922895
  1           0        1.088788    0.762283   -2.922823
 15           0        0.000006    0.088311    2.341043
  1           0        0.000240   -1.119170    3.068306
  1           0        1.088788    0.762283    2.922823
  1           0       -1.088973    0.761885    2.922895
  1           0       -0.000591    1.407211    0.000000

-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


