%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
N -0.984895 0.000164 0.001256
C -1.680743 1.168135 0.001309
C -3.070943 1.209451 0.001634
C -3.78929 0.008573 0.001897
C -3.078314 -1.196913 0.001997
C -1.688067 -1.164046 0.001683
H -1.108571 2.089216 0.000733
H -3.575173 2.171767 0.001567
H -4.876313 0.011886 0.001958
H -3.588382 -2.15617 0.002196
H -1.121045 -2.088741 0.001684
Co 1.021439 -0.003496 -0.000158
N 1.036511 1.4005 1.486792
N 3.108548 0.014233 0.004066
N 1.02332 -1.408724 -1.490357
N 1.031718 1.391508 -1.497321
N 1.027272 -1.40692 1.490965
H 0.186624 1.349554 2.060044
H 1.816482 1.304617 2.146535
H 1.087292 2.376083 1.174287
H 3.539395 -0.621836 -0.67641
H 3.510439 0.935278 -0.205476
H 3.535194 -0.253876 0.897596
H 0.130523 -1.420151 -1.996443
H 1.73624 -1.256094 -2.212203
H 1.170732 -2.377346 -1.186178
H 0.171707 1.349057 -2.055974
H 1.102531 2.36891 -1.194255
H 1.798397 1.276187 -2.169664
H 0.133555 -1.422227 1.995324
H 1.179949 -2.374374 1.185794
H 1.738393 -1.253862 2.214233

-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


