%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
O 1.17044964 0.10104102 -0.19015255
C 1.64264838 1.39941797 -0.10372403
H 1.20123716 2.07863586 -0.86670228
H 1.44605153 1.87316138 0.88385036
H 2.75064362 1.43086227 -0.25493975
Zn -0.74145038 -0.09235959 0.05226838
Cl -1.35064988 0.77647952 2.20573619
Cl -1.87777232 1.22401901 -1.60389513
Cl -1.40683875 -2.35751344 -0.12193626

-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


