%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
B 0.6654168 0.00020303 0.00017266
O 1.43338318 -1.14430374 -0.03269252
C 2.82866577 -0.77033849 0.05817839
C 2.82854888 0.7709517 -0.05874523
O 1.43325615 1.14477659 0.03254022
H 3.37815912 -1.26371676 -0.74894397
H 3.21778697 -1.1222095 1.02010031
H 3.37821872 1.26445712 0.74816543
H 3.21733998 1.12280232 -1.02081309
Zn -1.39781479 -0.0000643 0.00027662
C -3.36217552 -0.00063584 -0.00040833
H -3.76150944 -0.07509114 -1.02183297
H -3.76234121 -0.84807547 0.57378748
H -3.7629726 0.92076649 0.44502398

-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


