%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
Cu 0.012843 0.117661 2.326382
N 1.998781 0.085151 2.099859
N -1.925972 0.546488 2.095136
N -0.076295 -0.620009 4.231231
H 2.524036 0.364033 2.937071
H 2.314499 0.723094 1.356763
H 2.360426 -0.840318 1.834729
H -2.374513 0.938868 2.931458
H -2.491536 -0.269784 1.827899
H -2.083305 1.240791 1.352145
H 0.009211 0.120213 4.939005
H 0.668729 -1.29767 4.43021
H -0.958192 -1.107385 4.427713
H -0.049 -0.430665 0.159469
H 0.032683 0.263042 -0.121102

-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


