%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
H -0.63727427 0.00920687 1.81768226
Ru -0.10836438 -0.00206581 0.28708831
S 0.73413716 -0.0318894 -2.12277351
S -2.26006698 -0.00192091 -0.32876412
S 0.87013129 -1.92306657 0.83381556
S 0.8837717 1.92126679 0.83331447
H 2.02989807 0.28247441 -1.87350396
H -2.96318939 -0.01426278 0.83551127
H 1.44752301 -2.2584018 -0.35694267
H 1.47767877 2.27139018 -0.34369361

-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


