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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
O 1.417515 0.164926 -0.023597
H 1.861618 -0.279729 -0.766187
H 1.847161 -0.163408 0.785162
Ru -0.907439 -0.153758 -0.018209
S -3.243909 -0.383866 -0.024178
S -1.084666 2.066078 -0.13051
S -0.637062 -1.146346 1.95686
S -0.628514 -1.333498 -1.881403
H -3.342367 -1.724382 0.150134
H 0.236397 2.386933 -0.153177
H -1.912077 -1.385888 2.359852
H -1.906525 -1.607163 -2.254748

-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


