%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
H -0.230935 0.248462 -1.988748
H 0.333236 -0.268969 -1.972241
Co 0.005801 -0.002157 -0.184537
N -1.542878 1.31211 -0.32813
N -0.074036 -0.030918 1.789752
N 1.594482 -1.272198 -0.230526
N 1.292806 1.55938 -0.185264
N -1.282824 -1.559837 -0.257568
H -2.401777 0.909975 -0.728607
H -1.839517 1.730654 0.563527
H -1.340569 2.120427 -0.933662
H 0.220579 -0.927543 2.200211
H 0.516599 0.679855 2.243417
H -1.018937 0.125008 2.166375
H 2.354629 -0.953518 -0.848485
H 2.051562 -1.421937 0.678691
H 1.374112 -2.217232 -0.574011
H 1.56278 1.864405 -1.131979
H 0.927144 2.408727 0.265533
H 2.186246 1.37566 0.290489
H -1.511222 -1.854646 -1.218438
H -0.945115 -2.4154 0.20278
H -2.194731 -1.378398 0.182224

-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


