%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 1.26011733 -0.00564755 -0.04325229
O 2.05353649 1.13351813 0.0651818
C 3.43498437 0.76669312 -0.06997408
C 3.43506842 -0.77344174 0.02265093
O 2.05743209 -1.14275543 -0.14299507
H 4.01665342 1.24651914 0.72568451
H 3.80392991 1.12685424 -1.04030519
H 4.0350367 -1.25284557 -0.75960827
H 3.78256237 -1.1325231 1.00115312
Al -0.87734104 -0.00217164 -0.00701552
Cl -1.69551786 1.70951914 -1.12784924
Cl -1.71085167 -1.84254387 -0.88241061
Cl -1.57235653 0.14054814 2.08475192

-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


