%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-1 1
F 2.16431 -0.266275 -0.065212
Ru 0.093096 -0.005778 -0.000696
S -2.308484 0.340341 0.054688
S 0.437522 1.775313 -1.296098
S 0.324576 0.187666 2.196648
S -0.052518 -2.041676 -0.910109
H -2.748698 -0.938617 -0.034325
H 1.793394 1.661224 -1.34272
H 1.676535 0.021812 2.230834
H 1.286242 -2.280007 -0.958311

-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


