%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:
        
-1 1
S 2.454974 -0.106836 -0.10017
H 2.770069 -0.070255 1.218293
Ru -0.005154 0.009126 0.000917
S -2.481952 0.168897 0.016777
S 0.081666 2.232749 0.19673
S -0.123301 -1.278165 1.823969
S -0.151775 -0.941445 -2.015799
H -2.775847 -1.149845 0.108123
H 1.426414 2.449297 0.153075
H 1.180483 -1.612316 2.035392
H 1.151877 -1.221613 -2.299323

-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


