%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:

-1 1
O -1.41467814 -0.00452598 -0.13720221
C -2.20028739 -1.11593677 -0.03208562
C -3.49573199 -0.74079648 0.16468121
C -3.50376283 0.70027131 0.18372357
C -2.21258473 1.09486259 -0.00281605
H -1.67296145 -2.05286008 -0.12839117
H -4.3430561 -1.40336036 0.28210897
H -4.35837775 1.3500158 0.31862841
H -1.69581562 2.03985818 -0.07433947
Zn 1.0374663 0.00798425 -0.02206524
Cl 1.21732151 -0.01989725 2.21108014
Cl 1.1448071 -1.94413193 -1.13126257
Cl 1.12298209 1.98969272 -1.07958698

-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


