%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:

3 1
H 0.81778269 -0.37047423 0.03832058
H 0.80620091 0.43032331 -0.05016814
Rh -0.95572924 0.00508599 -0.0052146
O -2.99796748 -0.03499197 -0.13682094
O -0.97291213 0.42586629 2.0270232
O -1.09288851 -2.04375014 0.25674783
O -1.1493132 2.05176906 -0.25689927
O -1.00521568 -0.42840406 -2.02504941
H -3.52986406 0.78531045 -0.00626174
H -3.51459395 -0.8120004 0.18306005
H -1.75977486 0.22896727 2.58582009
H -0.17695515 0.35544564 2.60470676
H -0.68912179 -2.51451357 1.02353678
H -0.96132993 -2.61330456 -0.5390204
H -0.94642526 2.6420889 0.50749127
H -0.85758679 2.51847578 -1.07505592
H -0.26159494 -0.26845109 -2.65274671
H -1.85296522 -0.29067472 -2.51005008

-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


