%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
O 1.00770855 0.12315518 -0.18849538
C 1.5921299 1.40070217 -0.08937741
H 1.19806417 2.10425585 -0.84417711
H 1.44430915 1.85589751 0.90604533
H 2.67658915 1.30189034 -0.25612119
Ga -0.81293979 -0.05589279 0.04375946
Cl -1.39346323 0.70385222 2.10547131
Cl -1.90344852 1.21387942 -1.4928316
Cl -1.37462968 -2.2139959 -0.18376747

-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


