%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 2.3433 0.218054 0.095105
H 3.079338 0.789833 -0.967305
H 3.052867 -0.996924 0.227433
H 2.920152 0.929016 1.171457
Ru -0.058713 0.142284 -0.059701
S -2.458493 0.127848 -0.155454
S 0.067805 1.154847 -2.040246
S -0.148853 1.367881 1.823019
S 0.048139 -2.086035 0.067462
H -2.651239 -0.767225 -1.152818
H -1.246056 1.303783 -2.358392
H -1.482753 1.49396 2.046685
H -1.262075 -2.446556 0.059339

-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


