%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:
        
2 1
H -0.001047 -0.000445 -1.766179
Rh -0.00023 -0.000059 -0.242902
O 0.001718 0.000712 2.064117
O -1.629614 1.291642 -0.212021
O 1.404888 1.531512 -0.17736
O -1.404871 -1.531956 -0.175427
O 1.629161 -1.291759 -0.212919
H -0.501087 -0.595195 2.648829
H 0.50574 0.598025 2.646343
H -1.698899 1.896142 0.554349
H -1.884372 1.792565 -1.012128
H 1.403997 2.19781 -0.893406
H 2.328651 1.21604 -0.096268
H -2.328516 -1.217002 -0.091111
H -1.405863 -2.19723 -0.892423
H 1.88247 -1.793966 -1.012687
H 1.699033 -1.895309 0.554156

-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


