%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
C 0.90614034 -0.29315484 -0.00000008
C 1.65481717 -1.41815046 -0.00000008
H 2.74887123 -1.40038281 -0.00000008
H 1.20373503 -2.41294973 -0.00000008
H 1.49530045 0.63993883 -0.00000008
Ru -1.15509693 -0.10438685 -0.00000008
S -3.70592248 0.15696858 -0.00000008
S -0.9896328 2.12868547 -0.00000008
S -1.2777612 -1.23713078 1.91118024
S -1.2777612 -1.23713078 -1.9111804
H -4.02855364 -1.15813786 -0.00000008
H 0.35572937 2.36508616 -0.00000008
H 0.02521257 -1.55496009 2.15794305
H 0.02521257 -1.55496009 -2.15794321

-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


