%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
H -0.05112422 -0.31720294 2.81527867
H 0.08230734 0.41771486 2.77732828
Sn -0.0008002 -0.00295482 -0.05517172
C 0.47104672 2.09080422 -0.10795751
C -2.05103234 -0.63720995 -0.09391566
C 1.58138245 -1.4530268 -0.09445539
H -0.31590945 2.67121014 0.38132128
H 1.43296145 2.27634741 0.37756126
H 0.54173673 2.41414405 -1.1537917
H -2.67529232 0.06921063 0.46041901
H -2.39766828 -0.66289077 -1.13431222
H -2.14910304 -1.63932969 0.33156797
H 2.44202399 -1.08741389 0.47284249
H 1.23755191 -2.40555559 0.31696907
H 1.89487525 -1.61229985 -1.13346682

-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


