%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 1.73224413 0.00037412 0.00416852
C 2.38576415 -1.72149333 0.47687216
C 2.38280957 0.44842426 -1.72577129
C 2.39540319 1.27340692 1.25186507
H 2.0357639 -2.48841027 -0.22540546
H 2.0577555 -2.0146301 1.48208393
H 3.48435932 -1.73458977 0.46700553
H 3.48157873 0.45222501 -1.73612539
H 2.04236086 1.44438045 -2.03579238
H 2.0449316 -0.27086618 -2.48251314
H 3.49412133 1.27120214 1.25656609
H 2.05653081 1.05247754 2.27171499
H 2.06572927 2.29005904 1.00305085
Sn -0.87136307 0.00032995 0.00065977
C -1.68426485 -0.10877894 2.03095671
C -1.66078809 -1.7108346 -1.11550388
C -1.6690452 1.81567504 -0.92930916
H -1.3507093 0.74394503 2.63284575
H -2.77980071 -0.09878957 2.00050339
H -1.36447735 -1.0287024 2.53292359
H -1.32558251 -2.65494901 -0.67176213
H -2.75668799 -1.69752191 -1.10540715
H -1.32843378 -1.68561244 -2.15936638
H -1.35605472 2.70914128 -0.37750952
H -1.3194382 1.91151968 -1.96333251
H -2.76467958 1.78607809 -0.93966096

-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


