%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
N 0.00021717 0.00016412 -0.00056066
C -0.0001489 -0.0003445 1.35538866
C 1.17993316 0.0005428 2.08727876
C 2.39937899 0.00151716 1.40338694
C 2.39828711 0.00203333 0.00525715
C 1.18217365 0.00130751 -0.66505875
H -0.97068883 -0.00115087 1.84196458
H 1.13852898 0.00023123 3.17134777
H 3.33665199 0.00220826 1.95186584
H 3.32311591 0.00298386 -0.56184559
H 1.13099579 0.0015077 -1.74953318
Zn -1.69715964 -0.00096275 -0.9942266
C -3.36008618 -0.00130483 -1.96673746
H -3.84621759 0.97388282 -1.85891799
H -3.16270171 -0.19539771 -3.02610279
H -4.01536174 -0.78313049 -1.56895278

-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


