%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 1
C -1.726392 -0.022663 0.010604
N -2.892891 -0.037612 0.017399
Co 0.1515 0.002353 -0.000844
N 0.037643 0.25608 2.018624
N 2.277218 0.005448 -0.003328
N 0.018863 -0.229916 -2.02292
N 0.097271 2.026656 -0.246414
N 0.15049 -2.025113 0.238272
H -0.450571 -0.526365 2.465927
H 0.919094 0.378687 2.526741
H -0.544959 1.067576 2.248975
H 2.692686 -0.480701 -0.803536
H 2.694463 0.940946 -0.020776
H 2.690108 -0.450498 0.815679
H -0.62504 0.462344 -2.419671
H 0.887581 -0.160472 -2.561918
H -0.406692 -1.127898 -2.273688
H -0.87693 2.350724 -0.264715
H 0.556607 2.559666 0.498356
H 0.518907 2.359104 -1.119256
H -0.814442 -2.376456 0.240245
H 0.638855 -2.541278 -0.499714
H 0.56803 -2.351735 1.115088

-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


