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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

3 1
C 2.285749 0.058508 0.104536
N 1.13454 0.011472 0.062747
H 3.372652 0.10255 0.143613
Co -0.850487 -0.050632 -0.001216
N -0.840787 -0.034973 2.049922
N -2.867465 -0.070408 -0.051873
N -0.721235 -0.124957 -2.048447
N -0.798846 -2.101012 0.036746
N -0.913016 1.999421 -0.057544
H -0.478045 0.840452 2.446025
H -1.74803 -0.187572 2.50692
H -0.220735 -0.760752 2.428855
H -3.263663 0.269667 -0.936946
H -3.284332 -0.999894 0.084427
H -3.299699 0.522333 0.667663
H 0.041915 -0.743346 -2.349245
H -1.55598 -0.468137 -2.538726
H -0.503775 0.78014 -2.482696
H 0.163383 -2.460101 0.07228
H -1.272639 -2.524009 0.844158
H -1.222206 -2.549038 -0.785063
H 0.024271 2.409068 -0.156687
H -1.462374 2.385425 -0.834919
H -1.309926 2.437472 0.782489

-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


