%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:
        
0 1
C -3.28241 -0.024511 0.060457
N -2.128575 -0.016982 0.047045
H -4.353973 -0.031721 0.073515
Ru -0.009127 0.002657 0.003228
S 2.358687 -0.077538 -0.033233
S -0.153494 1.904901 -1.17199
S -0.111628 -1.97131 -1.054689
S -0.028823 0.075213 2.225212
H 2.673298 1.236532 -0.129278
H 1.142216 2.22325 -1.422785
H 1.195899 -2.241356 -1.302609
H 1.302781 0.062071 2.50227

-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


