%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 1
N -3.34430029 0.57079517 -0.20649303
C -2.05994053 0.96431468 -0.33335862
N -1.2589216 -0.02833573 0.03411563
C -2.05562435 -1.09465086 0.41001603
C -3.36546986 -0.73175061 0.26374079
H -1.73283371 1.93676562 -0.67185284
H -4.15256215 1.14099893 -0.41796024
H -1.62604899 -2.02153819 0.75910699
H -4.28566425 -1.26385051 0.44823813
Ga 0.79612602 0.01016714 -0.00614632
Cl 1.14031269 2.17584748 -0.29035348
Cl 1.31259439 -0.84578362 1.95328255
Cl 1.30836563 -1.25811551 -1.72908659

-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


