%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 6
Si 1.13098677 0.0019836 -0.10721283
C 1.43326435 0.00288973 1.76083067
C 1.78307252 -1.57548416 -0.92233548
C 1.79756604 1.57104753 -0.92672543
H 0.99492387 -0.88224843 2.23555973
H 1.00377347 0.8934128 2.23357569
H 2.5137558 -0.00223498 1.96579777
H 2.87091176 -1.65065313 -0.77873546
H 1.58527842 -1.58788567 -2.00038074
H 1.31830941 -2.46387079 -0.48078271
H 2.88617036 1.63623613 -0.78407789
H 1.341537 2.46493459 -0.48717774
H 1.59910608 1.58259211 -2.00465828
Fe -1.42523343 0.01323272 -0.15623411
Cl -2.17064773 2.00073163 0.40857626
Cl -2.18691969 -1.96347545 0.42462332

-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


