%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
N 1.554087 -0.008305 0.010364
C 2.73564 0.009844 0.005754
S 4.375762 0.037661 0.000563
Ru -0.535058 -0.017094 0.000676
S -0.516464 -2.235285 -0.321153
S -2.968543 -0.028579 -0.016851
S -0.55262 0.812966 2.066408
S -0.524489 1.376928 -1.741523
H 0.821868 -2.470533 -0.330918
H -3.187485 1.30749 0.002414
H 0.7838 0.933531 2.28993
H 0.81358 1.561699 -1.897327

-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


