%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 1.879738 -0.047805 -0.036021
O 3.003429 -0.080001 -0.06024
Rh -0.092593 0.006673 0.005376
O -2.19383 0.000105 -0.009424
O -0.102581 1.647028 1.278556
O -0.26575 -1.383891 1.530494
O -0.256315 1.408278 -1.511049
O -0.262058 -1.627299 -1.256047
H -2.743536 0.637295 -0.51807
H -2.751658 -0.435757 0.673051
H -0.92186 1.84632 1.787371
H 0.662329 1.951439 1.81902
H 0.14974 -1.266554 2.415899
H -0.177911 -2.336293 1.289727
H -0.07222 2.351874 -1.291938
H 0.07283 1.25018 -2.425837
H 0.429377 -1.951413 -1.87808
H -1.141993 -1.774315 -1.675234

-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


