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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
 Rh                -0.01215900    0.02477100   -0.18729000
 O                  0.15172200   -0.34810900    1.77491000
 O                 -2.04950500    0.38083900   -0.12235600
 O                  2.04699700   -0.11145800   -0.27032200
 O                  0.24375200    2.05010700   -0.16822300
 O                 -0.29243900   -2.01448200   -0.40115200
 H                 -0.21138000   -1.21630600    2.08800400
 H                 -0.13423900    0.35469300    2.41250400
 H                 -2.69937700   -0.16955100    0.37359700
 H                 -2.52152800    0.76651300   -0.90043300
 H                  2.55365000   -0.30694100   -1.09522000
 H                  2.58849200   -0.38352600    0.50752900
 H                 -0.42482800    2.70145000    0.15352200
 H                  1.14177300    2.45643900   -0.10213600
 H                 -1.02938700   -2.36275900   -0.95880200
 H                  0.47977500   -2.60985600   -0.55337400
 O                 -0.10830986    0.11457611   -2.09275321

3 9 F
3 10 F
4 11 F
4 12 F
5 13 F
5 14 F
6 15 F
6 16 F

-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


