%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 -1.40345249 1.38758931 0.11762134
C -2.52512381 0.11353873 0.09984895
N -3.28268355 -0.77754961 0.086576
Sn 0.63939953 -0.12075583 -0.00090456
C 2.25107055 1.3245416 0.00828717
C 0.38061307 -1.20289388 -1.8530861
C 0.4860156 -1.34428223 1.77337069
H 2.16821933 1.99327421 -0.85393282
H 2.22046997 1.92392036 0.92334021
H 3.21866835 0.81347861 -0.04001996
H -0.60495443 -1.67821634 -1.85837398
H 0.44671093 -0.51824569 -2.70368396
H 1.14692915 -1.97807396 -1.9603212
H -0.4975426 -1.82315355 1.79746478
H 1.25741707 -2.1218179 1.77707246
H 0.59985434 -0.72701884 2.66929501

-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


