%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:

-2 1
B -1.42384443 0.02834066 -0.09218735
O -2.25246347 -1.09330557 -0.30261172
C -3.61913443 -0.7438359 -0.07258845
C -3.62200848 0.79572676 -0.0595951
O -2.24963529 1.15106775 0.12377642
H -3.94589087 -1.16385469 0.89258367
H -4.25002246 -1.16984185 -0.86589881
H -3.98458085 1.21525164 -1.01265845
H -4.22663043 1.21892948 0.7551102
Zn 0.68805902 0.00493448 -0.0194179
Cl 1.3656002 -0.56355758 2.27984247
Cl 1.72303758 -1.62936663 -1.49460702
Cl 1.7504209 2.12261544 -0.56442696

-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


