%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
P 0.028682 -0.046478 0.009814
Cl -0.937706 -1.161114 1.469493
Cl 1.717388 0.606251 1.024465
Cl 0.82465 -1.539625 -1.192809
Ru -1.209721 1.574086 -1.038866
S -1.414539 2.856588 0.778008
S -2.577928 3.249994 -2.120815
S 0.403723 2.050027 -2.529375
S -2.859785 0.13904 -1.595991
H -0.664277 2.220172 1.718544
H -1.627158 4.183033 -2.355836
H 1.448115 1.248108 -2.194125
H -2.54085 -1.032215 -0.988042

-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


