%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 1.886293 -0.000662 0.190195
O 3.002026 -0.000534 0.332147
Cu -0.254895 -0.000096 -0.054145
N -0.223292 2.028112 -0.357853
N -0.225409 -2.028193 -0.357649
N -2.235321 0.001133 0.497192
H -1.109574 2.400328 -0.715948
H 0.48606 2.317335 -1.042079
H -0.017738 2.562989 0.494616
H -1.112365 -2.399784 -0.714716
H -0.019313 -2.563197 0.494613
H 0.482983 -2.31798 -1.042638
H -2.878877 -0.000376 -0.302993
H -2.492558 0.817473 1.063068
H -2.492466 -0.813139 1.066103

-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


