%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 1.821463 0.704144 0.482512
H 1.752001 1.663581 1.007672
H 2.358997 -0.006868 1.120723
H 2.40526 0.859279 -0.432497
Co 0.030068 0.013155 0.008993
N 0.14959 -1.29435 1.550368
N -1.922007 -0.753582 -0.624696
N -0.001877 1.405863 -1.455108
N 0.922298 -1.346814 -1.197212
N -0.883878 1.314838 1.266232
H 0.452138 -0.829343 2.411373
H -0.716045 -1.786221 1.791541
H 0.848956 -2.027796 1.40293
H -2.71092 -0.138181 -0.407565
H -1.983804 -0.902156 -1.635783
H -2.184501 -1.656933 -0.220932
H 0.655063 1.214624 -2.21675
H -0.908954 1.559159 -1.906095
H 0.294628 2.319752 -1.099452
H 1.919477 -1.446299 -0.982623
H 0.525004 -2.28816 -1.124212
H 0.888358 -1.128288 -2.197143
H -0.231144 1.725221 1.940697
H -1.325653 2.116088 0.805364
H -1.628363 0.890809 1.827775

-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


