%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
C -1.94578214 0.20071266 -0.00059125
H -2.23642561 1.25547358 -0.1009333
H -2.40310688 -0.35172429 -0.83286514
H -2.38503897 -0.17848751 0.9323221
Zn -0.00007701 -0.00087948 -0.00075558
C 1.94568739 -0.20180986 -0.00061606
H 2.23664368 -1.25648303 -0.10095417
H 2.40286531 0.35075455 -0.83289099
H 2.38485224 0.17753238 0.93228439

-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


