%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 0.95656 0.000476 0.00143
C 1.668756 1.208976 0.002009
C 3.07135 1.209961 0.002201
C 3.775069 0.003597 0.001737
C 3.074354 -1.204465 0.001288
C 1.67174 -1.206631 0.001091
H 1.16049 2.172146 0.002294
H 3.605731 2.156078 0.002595
H 4.860764 0.00496 0.001753
H 3.610887 -2.149369 0.000993
H 1.16533 -2.170997 0.000612
Co -1.000503 -0.00166 0.0001
N -0.992566 -1.397005 1.47014
N -3.209099 0.008702 0.003215
N -0.990046 1.386663 -1.476136
N -0.987834 -1.389802 -1.477643
N -0.994638 1.387008 1.474483
H -0.090014 -1.380042 1.955572
H -1.7091 -1.270275 2.189872
H -1.10366 -2.364308 1.155503
H -3.616821 0.899641 -0.292425
H -3.630482 -0.689976 -0.614537
H -3.634347 -0.175317 0.915301
H -0.107107 1.333801 -1.993829
H -1.738658 1.283554 -2.166871
H -1.04889 2.359247 -1.163728
H -0.079911 -1.377294 -1.953145
H -1.110432 -2.358605 -1.171729
H -1.694762 -1.250044 -2.204684
H -0.110437 1.340539 1.990631
H -1.061296 2.35815 1.159444
H -1.741398 1.282487 2.166721

-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


