%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:
        
0 1
O -2.416732 -0.089911 0.286193
H -2.730375 0.440222 1.039168
H -2.746551 -0.993098 0.434392
Ru -0.088654 -0.000914 0.004894
S 2.227583 0.127081 -0.356693
S -0.493014 0.803901 -2.034826
S -0.092418 -2.200933 0.350047
S -0.052197 1.378559 1.747537
H 2.670225 -0.442873 0.7906
H -1.852092 0.814965 -1.996684
H 1.201109 -2.551227 0.127498
H 1.25306 1.753803 1.803071

-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


