%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
O 0.65974621 0.10748076 -0.03936304
Rh -1.30227976 0.00797513 0.02114542
O -3.46594148 0.09602046 0.06922136
O -0.87653844 0.3052894 2.12429499
O -1.43962339 -2.05314852 0.20641684
O -1.0941609 2.05378888 -0.25072827
O -1.70290639 -0.43939142 -1.85043523
H -3.93131528 -0.53433492 0.6478767
H -3.71804906 -0.12005453 -0.85224615
H -1.21761849 1.11506427 2.54463678
H 0.10115757 0.35955699 2.14782026
H -0.6622414 -2.47936686 0.6140443
H -1.47209816 -2.32519021 -0.7389777
H -0.13351585 2.12047387 -0.45419814
H -1.58713486 2.41839093 -1.00977922
H 1.04905981 -0.44650429 -0.73686955
H -1.02893172 -0.11928201 -2.47344002

-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


