%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
B 1.41045472 0.01228815 -0.05614201
O 2.18978035 1.10649369 0.27215836
C 3.5730398 0.76474101 0.07735726
C 3.56647111 -0.76386253 -0.14445089
O 2.18468418 -1.08834052 -0.37540289
H 4.14564988 1.0697335 0.9600395
H 3.95028281 1.31356585 -0.79544316
H 4.15851946 -1.07642029 -1.0116078
H 3.91326014 -1.31662689 0.73827831
Ga -0.69863418 0.00219938 -0.01480772
Cl -1.62074234 -1.43277725 -1.54303007
Cl -1.42861374 -0.66827942 2.06465318
Cl -1.62113265 2.05922697 -0.41535127

-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


