%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 0.65007462 -1.23636488 0.43343709
C 0.08758763 -2.46578566 0.01951276
H -0.90555186 -2.64361332 0.46346386
H -0.01304827 -2.53348505 -1.07608839
H 0.75011703 -3.27992035 0.34535338
Zn -0.03756503 0.39001639 0.15282826
C -0.65021147 2.20932845 -0.07139145
H 0.18756644 2.91069806 0.02584221
H -1.10020308 2.34723373 -1.0620163
H -1.40137002 2.46215363 0.68655867

-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


