%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:
        
3 1
C 1.157106 0.005199 -0.003323
N 1.994938 -1.061772 -0.014655
C 3.330616 -0.67591 -0.012092
C 3.330561 0.684495 0.001458
N 1.995069 1.070562 0.007112
H 4.143217 -1.390328 -0.020024
H 4.143216 1.398851 0.007538
H 1.712495 -2.03531 -0.01863
H 1.713057 2.043885 0.016425
Co -0.821127 -0.001431 0.001334
N -0.817955 -1.461205 1.431861
N -2.94435 0.00848 -0.004889
N -0.840097 1.456516 -1.426289
N -0.852357 -1.362735 -1.523332
N -0.849385 1.346074 1.534177
H 0.03684 -1.455909 1.998926
H -1.581847 -1.371053 2.111031
H -0.90346 -2.422463 1.083834
H -3.354599 0.930014 0.184095
H -3.370228 -0.279998 -0.892475
H -3.38299 -0.611318 0.685077
H -0.087258 1.342878 -2.113946
H -1.707407 1.474932 -1.974967
H -0.74178 2.418346 -1.08469
H 0.067894 -1.522103 -1.947477
H -1.202265 -2.293047 -1.268253
H -1.449182 -1.077406 -2.307908
H 0.004649 1.326496 2.102355
H -0.966565 2.327673 1.260316
H -1.614107 1.180373 2.198605

-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


