%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
O 1.10135153 0.01659423 -0.09622194
C 1.8685211 1.1715332 -0.20941461
C 3.1483591 0.88152325 0.12116519
C 3.19511718 -0.5186051 0.46542966
C 1.94130354 -1.00858613 0.32680751
H 1.33535172 2.0489675 -0.54021395
H 3.97499313 1.57833213 0.11843401
H 4.0639176 -1.08386541 0.77291698
H 1.46957647 -1.97102544 0.44844017
Ga -1.07627047 -0.02946838 0.01625643
Cl -1.33263411 0.4779291 2.11636538
Cl -1.44702448 1.53726449 -1.45123828
Cl -1.32430533 -2.11722753 -0.55343416

-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


