%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
S 1.962154 1.068303 0.10545
C 3.125798 -0.142573 0.002787
N 3.93524 -0.992791 -0.066834
Ru -0.349411 0.042616 -0.002986
S -2.655673 -0.741845 -0.138606
S -0.745337 1.237211 -1.86246
S -0.780523 0.877706 2.031158
S 0.302794 -2.07216 -0.179648
H -2.830458 -1.141756 1.143149
H 0.474736 1.781901 -2.11856
H 0.432997 1.368862 2.402315
H 1.660711 -1.986584 -0.138687

-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


