%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
Si 1.17740014 0.00370505 0.02732548
C 1.81071457 -0.18937553 1.81490266
C 1.8734383 -1.43740555 -1.00829934
C 1.87537961 1.63239829 -0.67559149
H 1.44974239 -1.12757533 2.25463947
H 1.44816441 0.63230913 2.4452349
H 2.91015378 -0.1923909 1.85204142
H 2.97325967 -1.44978733 -0.9905101
H 1.54727204 -1.3556708 -2.05272532
H 1.51276501 -2.3996916 -0.62377348
H 2.97514077 1.63942884 -0.6522586
H 1.51428246 2.49062101 -0.09507197
H 1.55281746 1.77652887 -1.71437174
Ga -1.24135576 0.00570609 -0.03319568
Cl -2.12022909 1.73215707 1.21205165
Cl -2.02792521 0.23763203 -2.18582557
Cl -2.10638254 -1.95684604 0.80657684

-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


