%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-2 1
S -2.549312 0.02889 -0.18011
W 0.116786 -0.001238 0.008173
C 0.019744 1.922506 -0.727531
C 0.066983 -0.726275 -1.921338
C 2.099111 -0.024043 0.148652
C -0.192049 0.727684 1.912636
C -0.128754 -1.92124 0.720011
O -0.044333 3.013447 -1.143702
O 0.026625 -1.137653 -3.015189
O 3.291907 -0.037664 0.231299
O -0.377891 1.140708 2.990587
O -0.276733 -3.009141 1.122301

-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


