%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
C -1.77671679 1.25511025 0.11718541
H -1.75391677 1.87783807 1.01805561
H -1.8396781 1.91792539 -0.75306323
H -2.68617079 0.64445057 0.14657163
Sn 0.00070376 -0.00421434 0.00003601
C 1.78236893 1.25396621 -0.05648331
C -0.0892742 -1.21901611 -1.80987768
C 0.08587387 -1.30568794 1.7485508
H 1.7575353 1.92913121 -0.91909874
H 1.85495719 1.86377301 0.85098005
H 2.6873107 0.6406055 -0.12943111
H -0.12783809 -0.58421237 -2.7024286
H 0.79262132 -1.86522293 -1.88851239
H -0.97966918 -1.85761529 -1.80619069
H 0.12296767 -0.71523989 2.67115778
H -0.79668591 -1.95337524 1.79448343
H 0.9759251 -1.94356911 1.71628104

-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


