%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
Cl 2.484747 -0.079158 0.000262
Ru -0.011713 -0.004083 0.000009
S -2.447366 0.017679 -0.000204
S 0.050642 2.232975 -0.005735
S 0.01743 -1.116088 1.929215
S 0.017626 -1.126114 -1.923415
H -2.71161 1.346285 -0.002509
H 1.397508 2.421411 -0.006035
H -1.312403 -1.183062 2.218314
H -1.312155 -1.194517 -2.212388

-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


