%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 3.1231058 -0.0006207 -0.00393129
N 1.97107359 -0.00030245 -0.001969
H 4.20112434 -0.00084096 -0.00579579
Sn -0.3892127 0.00050106 0.0006887
C -0.62556536 -2.12459421 -0.21392728
C -0.62392498 1.24980979 -1.73200634
C -0.62167548 0.87700279 1.94893005
H -0.16431502 -2.64576087 0.62957094
H -1.69127523 -2.37574605 -0.23545956
H -0.1707332 -2.46566978 -1.14803947
H -0.16518282 0.77855392 -2.60565695
H -1.68934761 1.39766205 -1.93757581
H -0.16565288 2.22778757 -1.56064244
H -0.15912416 0.24193046 2.70950958
H -0.16661677 1.87095099 1.97576979
H -1.68692051 0.9771974 2.18243886

-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


