%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
C -0.011458 -0.005982 0.000233
H -0.030005 -0.010156 1.099685
H 1.03903 0.004875 -0.324324
H -0.48734 0.922577 -0.346598
Ru -1.044006 -1.742503 -0.789643
S -2.269598 -3.800465 -1.625099
S -2.849947 -0.989992 0.270126
S 0.445446 -2.970186 0.317149
S -0.531795 -0.939907 -2.811536
H -2.166382 -3.660823 -2.971338
H -3.775532 -1.931816 -0.068643
H 0.054892 -4.234004 -0.012701
H -1.06846 -1.854497 -3.667868

-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


