%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
Si -2.33831013 -0.02025856 -0.07576769
H -2.90748308 -0.84365243 1.02995816
H -2.89812819 1.35599677 0.0540552
H -2.83590641 -0.58877144 -1.36171846
Sn 0.26027414 0.00471975 0.00420272
C 1.03864994 -2.02853291 -0.16851911
C 0.94453019 0.86349839 1.89255265
C 1.04997792 1.2022873 -1.6428993
H 0.67679285 -2.65588437 0.65313188
H 0.72807381 -2.48596304 -1.11402555
H 2.13389077 -2.01572705 -0.13556988
H 0.57756599 0.27790735 2.74233463
H 2.03978591 0.87266001 1.92813844
H 0.58797095 1.89312127 2.00392607
H 0.73138722 0.79479823 -2.60838251
H 0.70100545 2.2382031 -1.5738795
H 2.14544568 1.20522664 -1.61503574

-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


