%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:

2 1
C 0.89857748 -0.00761354 -0.00573639
C 2.11456961 -0.01516619 -0.00833865
H 3.18818511 -0.02190343 -0.01070432
Rh -1.03424854 0.00470479 -0.00123531
O -3.27647225 0.01796872 0.00316954
O -1.01252692 0.50765419 2.00841369
O -1.06354537 -2.0283887 0.40718817
O -1.0386286 2.03788362 -0.41028471
O -1.02930324 -0.49833648 -2.0108836
H -3.85396458 0.7754706 -0.20477927
H -3.86015948 -0.73315707 0.21686859
H -1.63184059 0.03893493 2.60452799
H -0.12185271 0.47933978 2.41892588
H -0.19070147 -2.36517347 0.70471169
H -1.31967081 -2.58602123 -0.35752607
H -1.28651909 2.5994785 0.3542267
H -0.16197594 2.36314443 -0.70946295
H -0.14085959 -0.48009594 -2.42675928
H -1.64671763 -0.02195555 -2.60290235

-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


