%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 1.14386645 0.00156978 0.0247601
C 1.83445146 -0.17678604 1.80342815
C 1.90764272 -1.43501779 -0.98802233
C 1.90347931 1.61233134 -0.682959
H 1.48939504 -1.11186189 2.26375254
H 1.49225677 0.64947896 2.44025693
H 2.93506687 -0.17897002 1.8079506
H 3.0072184 -1.41594063 -0.94321863
H 1.60823302 -1.37226493 -2.04242236
H 1.56759322 -2.40667577 -0.60646291
H 3.00315028 1.58797397 -0.64414589
H 1.56139709 2.48795606 -0.11585107
H 1.60207979 1.75897864 -1.72843005
Al -1.30743677 0.00817136 -0.03779209
Cl -2.09963318 1.68766954 1.1527466
Cl -2.02271536 0.22067506 -2.1135787
Cl -2.1014078 -1.87554435 0.79113626

-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


