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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
H -0.637274 0.009207 1.817682
Ru -0.108364 -0.002066 0.287088
S 0.734137 -0.031889 -2.122774
S -2.260067 -0.001921 -0.328764
S 0.870131 -1.923067 0.833816
S 0.883772 1.921267 0.833314
H 2.029898 0.282474 -1.873504
H -2.963189 -0.014263 0.835511
H 1.447523 -2.258402 -0.356943
H 1.477679 2.27139 -0.343694

-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


