%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
2 2
C 2.943726 -0.000386 0.270496
N 1.799862 -0.000254 0.132411
H 4.018346 -0.000498 0.400857
Cu -0.238621 -0.000255 -0.036138
N -0.19124 2.033806 -0.283882
N -0.193093 -2.033924 -0.28365
N -2.250533 0.001269 0.38158
H -1.041489 2.443946 -0.682723
H 0.571087 2.311249 -0.9115
H -0.019178 2.532544 0.596299
H -1.045356 -2.444039 -0.678195
H -0.016941 -2.532523 0.595813
H 0.566145 -2.311806 -0.914848
H -2.834802 -0.003533 -0.462293
H -2.547977 0.819186 0.923805
H -2.547164 -0.811089 0.932597

-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


