%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
S 2.174168 0.059998 -0.092387
H 2.385124 1.339511 0.29955
Rh -0.139726 -0.010983 0.014196
O -2.398631 -0.10192 -0.007149
O -0.313973 1.476484 -1.418931
O -0.312466 1.515013 1.41288
O -0.138938 -1.540585 -1.398719
O 0.03704 -1.509675 1.446513
H -2.986263 0.326051 0.643106
H -2.934668 -0.763075 -0.483446
H -1.113406 1.442912 -1.983562
H 0.462351 1.626787 -1.998242
H -0.414769 2.408964 1.025245
H 0.362942 1.587039 2.117188
H 0.592759 -1.532407 -2.050774
H -0.152372 -2.441075 -1.012176
H 0.933524 -1.605378 1.83554
H -0.618508 -1.569594 2.170211

-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


