%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:

0 1
O 1.30219187 0.4250719 -0.42344976
C 2.10513712 1.16359987 0.47480537
H 1.76722805 2.20919836 0.58737016
H 2.1463009 0.71000307 1.48112817
H 3.13008688 1.18802966 0.08106306
Sn -0.66756465 0.12574299 -0.09059718
C -1.60642956 2.08375009 0.00014432
C -0.84373987 -0.93492282 1.79816221
C -1.25324259 -1.045323 -1.80834492
H -1.21404124 2.66106377 0.84404752
H -1.40828366 2.64046781 -0.92161315
H -2.69132046 1.99101599 0.12340254
H -0.45942282 -0.32341539 2.62144283
H -1.89023551 -1.17929329 2.01243084
H -0.27009166 -1.8668548 1.76258412
H -0.67663129 -1.97523917 -1.83946844
H -2.31927097 -1.29530217 -1.77576042
H -1.05326232 -0.48482055 -2.72706054

-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


