%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
C -2.11813191 0.0886182 0.10902295
O -3.24254516 0.13586376 0.16317569
Sn 0.43228684 -0.01798368 -0.01327509
C 0.70103556 2.11659605 -0.01288164
C 0.47768928 -1.08497074 -1.88087228
C 0.65509686 -1.10759642 1.82840099
H 0.21627058 2.56563766 -0.88397786
H 0.29695756 2.55499431 0.90362443
H 1.77256195 2.33960076 -0.05984314
H -0.00090348 -0.49906376 -2.67025195
H 1.52119322 -1.2604253 -2.16441923
H -0.02110072 -2.05299499 -1.78296451
H 0.25672163 -0.53047901 2.66724652
H 0.14653762 -2.0736012 1.76789732
H 1.72064916 -1.28814862 2.00755581

-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


