%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
C 1.59066172 -0.45945618 -0.02623007
C 2.49413906 0.52889601 0.03485186
H 3.56164682 0.30792968 0.0219168
H 2.23268236 1.58221755 0.09929068
H 1.90561463 -1.50069448 -0.08983691
Zn -0.27796465 -0.11770594 -0.00613237
N -2.26807666 0.2514251 0.0156467
H -2.55179026 0.9313506 -0.6986672
H -2.82628299 -0.59237159 -0.15667378
H -2.59008701 0.62791136 0.91429929

-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


