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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-2 1
O 1.961971 0.10349 -0.113735
Ru 0.196904 0.090238 0.094389
S -0.270888 2.234552 -0.846759
S 0.076947 -0.234065 2.448843
S -2.610577 0.012782 0.43298
S -0.363182 -1.895876 -1.089671
H -1.622283 2.240416 -0.766071
H 1.414438 -0.063372 2.643453
H -2.638035 0.645261 1.63187
H 0.873435 -2.029541 -1.645201

-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


