%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
N -0.2097 -2.033863 0.315112
H 0.562806 -2.440279 0.852999
H -0.258294 -2.577664 -0.55369
H -1.056313 -2.275935 0.840311
Cu 0.000253 -0.000083 0.000009
N 2.03413 -0.209108 -0.315038
N -2.033754 0.209327 -0.315268
N 0.208752 2.033838 0.315175
H 2.438679 0.560727 -0.858163
H 2.277396 -1.058576 -0.83503
H 2.578629 -0.25123 0.553661
H -2.276709 1.057782 -0.837051
H -2.577942 0.253731 0.553509
H -2.438988 -0.561493 -0.856456
H 0.246586 2.578706 -0.553489
H 1.060105 2.278 0.831629
H -0.559303 2.437274 0.861649

-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


