%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
N 0.29738883 -0.08353215 2.13476538
H -0.22968316 -0.8473819 2.56639872
H 0.00110604 0.77579003 2.60517237
H 1.27871176 -0.2292871 2.38647728
Sn -0.02063875 0.01766196 -0.18498608
C -2.17148031 0.08255397 -0.18370019
C 0.93591017 -1.84096334 -0.69570431
C 1.05178707 1.8470884 -0.54897596
H -2.53338953 0.9559863 0.36726526
H -2.53942598 0.15427019 -1.21243664
H -2.587787 -0.82577068 0.26230222
H 0.44542158 -2.67968963 -0.1927096
H 0.86791996 -2.00675194 -1.77587444
H 1.99484293 -1.82263609 -0.4215085
H 0.57717227 2.68675927 -0.03227907
H 2.09146827 1.75904196 -0.21934249
H 1.05430376 2.06674474 -1.62168694

-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


