%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 -2.951858 -0.038153 0.001035
N -1.799122 -0.01749 -0.00289
H -4.04018 -0.057346 0.004324
Co 0.187823 0.000257 0.000641
N 0.105929 0.231561 2.037133
N 2.205269 -0.022993 0.02363
N 0.132076 -0.169813 -2.044195
N 0.181243 2.04092 -0.208686
N 0.205933 -2.042489 0.192116
H -0.29016 -0.583112 2.521145
H 0.999824 0.421439 2.506303
H -0.510453 1.00883 2.303094
H 2.624439 -0.474209 -0.798976
H 2.638009 0.908379 0.063395
H 2.598525 -0.532685 0.824545
H -0.605896 0.42173 -2.445141
H 0.991026 0.096633 -2.540337
H -0.090442 -1.116445 -2.375002
H -0.773278 2.419166 -0.25242
H 0.635902 2.549234 0.559572
H 0.643149 2.379067 -1.061699
H -0.736325 -2.443922 0.107577
H 0.773319 -2.529133 -0.512409
H 0.563171 -2.383503 1.092767

-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


