%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
P -1.25622227 -0.00025741 0.00106403
Cl -2.03861246 -1.53935545 -1.07137669
Cl -2.03918407 1.69750779 -0.79762335
Cl -2.04411374 -0.15784245 1.86708076
Sn 1.50687907 -0.00000966 0.00049773
C 1.74101104 0.16996946 -2.13481834
C 1.74565291 -1.9343889 0.9195825
C 1.74588825 1.76426715 1.21429197
H 1.29134745 1.09861939 -2.49707943
H 2.80848319 0.18251303 -2.3796298
H 1.27988205 -0.68304035 -2.63993811
H 1.28925323 -2.71173206 0.30066146
H 2.81362165 -2.15457462 1.02143293
H 1.29348484 -1.94453498 1.91527033
H 1.29571365 2.63119032 0.72280304
H 1.28747118 1.61939895 2.19618185
H 2.81393502 1.9612328 1.35599911

-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


