%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
C 1.803194 0.004899 -0.017977
O 2.927052 0.00937 -0.038004
Co -0.173784 -0.001198 0.002417
N -0.118553 1.924938 -0.722065
N -2.202516 0.004053 -0.023935
N -0.100459 -1.911247 0.766744
N -0.195468 0.732804 1.922279
N -0.215069 -0.757705 -1.909876
H 0.293607 2.005412 -1.660843
H -1.037902 2.379441 -0.792473
H 0.44577 2.561271 -0.14351
H -2.630552 -0.93034 0.002735
H -2.635671 0.509708 0.759919
H -2.599229 0.439028 -0.866884
H 0.523137 -1.999383 1.580034
H -1.003924 -2.278475 1.091311
H 0.24948 -2.611926 0.100352
H 0.729374 0.851132 2.35754
H -0.638661 1.656976 2.001642
H -0.714796 0.131337 2.574667
H 0.699318 -1.031968 -2.293719
H -0.797961 -1.600228 -1.993333
H -0.600963 -0.103903 -2.602833

-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


