%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
S 1.86615707 0.19373508 -0.2752887
C 2.23546126 1.28379421 1.17200382
H 1.87269265 0.85117652 2.1097789
H 3.32386998 1.37177519 1.23151475
H 1.81500834 2.28626221 1.04367162
Sn -0.59680197 0.14625428 -0.20660344
C -1.31513477 2.18728013 -0.42065162
C -1.20025516 -0.67988898 1.71198223
C -1.17636902 -1.11561799 -1.87125882
H -0.94859725 2.61891659 -1.35735961
H -2.41068015 2.21324929 -0.42718158
H -0.96237878 2.8093026 0.4087745
H -0.84804719 -0.04632104 2.53285464
H -2.29194082 -0.75017405 1.7769247
H -0.77622097 -1.68075924 1.84064021
H -0.81217047 -0.69436758 -2.81360431
H -0.75505086 -2.11896297 -1.75333335
H -2.26720335 -1.20060191 -1.92667471

-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


