%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
H 0.817783 -0.370474 0.038321
H 0.806201 0.430323 -0.050168
Rh -0.955729 0.005086 -0.005215
O -2.997967 -0.034992 -0.136821
O -0.972912 0.425866 2.027023
O -1.092889 -2.04375 0.256748
O -1.149313 2.051769 -0.256899
O -1.005216 -0.428404 -2.025049
H -3.529864 0.78531 -0.006262
H -3.514594 -0.812 0.18306
H -1.759775 0.228967 2.58582
H -0.176955 0.355446 2.604707
H -0.689122 -2.514514 1.023537
H -0.96133 -2.613305 -0.53902
H -0.946425 2.642089 0.507491
H -0.857587 2.518476 -1.075056
H -0.261595 -0.268451 -2.652747
H -1.852965 -0.290675 -2.51005

-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


