%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
S 2.089325 -0.134133 0.290106
Rh -0.1766 0.02081 -0.04717
O -2.529649 0.076081 -0.254325
O -0.217447 1.52383 1.388673
O -0.500292 -1.388913 1.448722
O 0.393579 1.534335 -1.38417
O 0.108725 -1.641876 -1.295098
H -3.063386 0.594115 -0.879501
H -3.018473 0.080397 0.586784
H -0.369636 2.404471 0.994964
H 0.720194 1.526277 1.704436
H 0.394134 -1.504961 1.84753
H -0.731068 -2.255415 1.060212
H 1.383514 1.423589 -1.243282
H 0.220122 1.436536 -2.338331
H 1.103684 -1.696601 -1.250812
H -0.160617 -1.626377 -2.231457

-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


