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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
H -0.10701331 -0.3695252 -2.15747462
H -0.19313252 0.41765804 -2.13758873
Ru -0.02147461 -0.00070296 -0.31968054
S 0.03892403 -0.03244757 2.04682054
S -2.2689824 -0.02296797 -0.20191291
S 1.1204887 1.92668684 -0.28122767
S 1.13268942 -1.91642718 -0.29581082
H 1.36837748 0.13525873 2.2334619
H -2.63945057 -0.04411601 -1.50765842
H 1.30168944 2.20541609 -1.59869785
H 1.31759933 -2.18102781 -1.61633687

-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


