%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
Cl -0.025331 -0.000396 -0.014255
Ru 0.018283 0.000029 2.482953
S 0.009356 0.000608 4.918688
S 2.255955 -0.002868 2.448791
S -1.100703 -1.924879 2.440064
S -1.095858 1.927761 2.439216
H 1.334526 -0.002163 5.199651
H 2.461346 -0.003543 1.104406
H -1.185543 -2.213471 3.768987
H -1.179894 2.217242 3.76799

-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


