%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 1.22137477 0.13698952 -0.04442556
C 1.7463881 -0.12577023 1.75796058
C 1.60615021 -1.42768545 -1.04297244
C 2.1885175 1.60631295 -0.7757169
H 1.14683016 -0.93308977 2.19454925
H 1.58516689 0.7788169 2.35770503
H 2.81010283 -0.3982802 1.82557392
H 2.67044388 -1.69552075 -0.9663955
H 1.36126503 -1.29522579 -2.10433471
H 1.00428981 -2.25903002 -0.65769718
H 3.27264953 1.41992605 -0.74359166
H 1.98550805 2.5281587 -0.21656124
H 1.90488287 1.78301506 -1.82069365
Hg -1.22810783 0.46324829 -0.07360561
I -3.67869947 1.77872485 -0.56123542
I -1.87545933 -2.31938191 1.25208395

-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


