%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
C -2.330766 -0.084834 -0.001879
H -2.680844 -1.127165 0.010322
H -2.740996 0.424373 0.882088
H -2.738809 0.402799 -0.898925
Ru -0.163003 -0.005047 -0.000205
S 2.373779 -0.00583 0.002514
S -0.248302 -1.145708 -1.908718
S -0.253564 -1.097826 1.935846
S -0.394973 2.217571 -0.027277
H 2.654421 1.322137 -0.01356
H 1.074795 -1.256612 -2.217942
H 1.068658 -1.202301 2.251102
H 0.888433 2.676534 -0.030644

-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


