%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 0.000137 -0.218102 -0.003065
N -0.000769 1.813164 0.000485
N 1.947597 -0.620387 0.002998
N -1.947157 -0.621294 0.002999
H -0.817624 2.211307 -0.478197
H 0.824517 2.212349 -0.46256
H -0.009993 2.191109 0.956878
H 2.134836 -1.623201 0.148619
H 2.471574 -0.137852 0.744175
H 2.419954 -0.382411 -0.879077
H -2.418653 -0.38759 -0.880684
H -2.472237 -0.135606 0.741313
H -2.134057 -1.623516 0.153051

-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


