%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:
        
3 1
C -3.040612 -0.104225 0.084073
N -1.890085 -0.0586 0.046347
H -4.129915 -0.147265 0.119597
Rh 0.11412 0.008642 -0.007704
O 2.192603 -0.003232 0.014447
O 0.052297 1.644313 -1.279968
O 0.267447 -1.379944 -1.53271
O 0.261482 1.414497 1.504
O 0.271017 -1.621713 1.252178
H 2.71702 0.687392 0.477316
H 2.730757 -0.38062 -0.716384
H 0.81253 1.851647 -1.868084
H -0.768312 1.907004 -1.752319
H -0.236368 -1.289259 -2.372006
H 0.221304 -2.327311 -1.26803
H 0.058922 2.349199 1.271445
H -0.099687 1.25358 2.403984
H -0.453807 -1.921232 1.844183
H 1.127674 -1.76785 1.714521

-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


