%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
C 1.27307431 -0.08682683 0.00377266
C 2.01047585 -1.21536417 -0.00247982
H 3.11309507 -1.23437853 -0.00103676
H 1.52909518 -2.19628279 -0.0100101
H 1.85543227 0.84933357 0.01050682
Zn -0.74908688 0.03562542 0.00107811
Cl -1.57382641 1.21738054 1.95612227
Cl -1.56035368 1.27792796 -1.92249972
Cl -1.74770081 -2.16744207 -0.03494854

-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


