%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
Cl 2.118661 -0.082888 -0.059734
Rh -0.156436 0.01091 0.008941
O -2.337935 0.03296 0.0101
O -0.018828 1.587994 1.346423
O -0.191195 -1.402507 1.521889
O -0.163237 1.425177 -1.506516
O -0.259964 -1.568742 -1.321963
H -2.882832 0.66924 -0.491475
H -2.895463 -0.330207 0.724744
H -0.56696 1.56946 2.157747
H 0.90285 1.792819 1.617991
H 0.681531 -1.517933 1.958067
H -0.462368 -2.297242 1.224614
H -0.318407 2.345356 -1.204788
H 0.677746 1.448229 -2.013608
H 0.593641 -1.827572 -1.731751
H -0.938097 -1.533045 -2.027853

-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


