%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
C -1.71136393 0.02120086 -0.0034865
C -2.9285865 0.03483029 -0.00638008
H -4.00109493 0.04865982 -0.00869936
Co 0.16459394 -0.00081159 0.00002154
N 0.05589211 0.18709727 -2.02168076
N 2.30814069 0.0028092 0.00666707
N 0.04359324 -0.22263929 2.01772386
N 0.11451921 -2.02486695 -0.20605305
N 0.15617031 2.02441594 0.20746141
H -0.36193811 1.0819693 -2.29226967
H 0.9242537 0.09446876 -2.55771601
H -0.598356 -0.50758622 -2.39429955
H 2.7177795 0.39171209 0.86058884
H 2.72771224 -0.92671869 -0.08580823
H 2.72185457 0.55398605 -0.75047839
H -0.59632983 -0.99058826 2.2415285
H 0.91173641 -0.40110151 2.53190642
H -0.39518669 0.59252661 2.45549016
H -0.8686751 -2.31841036 -0.23284361
H 0.54407167 -2.38334151 -1.06389525
H 0.54987401 -2.54930032 0.55842759
H -0.82108307 2.33722497 0.23477931
H 0.59517 2.37467752 1.06370677
H 0.60348455 2.54152503 -0.55485302

-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


