%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
C 1.17035848 0.01887802 -0.03250495
C 1.86569315 -1.15406561 0.31734849
C 3.25948116 -1.19665593 0.35302196
C 3.97250482 -0.03739445 0.03128219
C 3.32204862 1.14747142 -0.32762045
C 1.92748839 1.16103499 -0.35487141
H 1.3085096 -2.05754438 0.55458293
H 3.79419733 -2.1006995 0.62106242
N 5.43660944 -0.06648513 0.06569555
H 3.90436971 2.02698959 -0.57744286
H 1.41889358 2.07731208 -0.646034
O 5.9965717 -1.12328596 0.38324787
O 6.05237852 0.96708577 -0.22375532
Ga -0.83991099 0.06949724 -0.04307984
Cl -1.65136612 0.6803767 1.98036069
Cl -1.5270889 1.59019207 -1.57279776
Cl -1.62297849 -1.998442 -0.52798959

-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


