%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
O 0.475385 -1.573051 -1.155843
H -0.138669 -2.245358 -1.514297
H 1.342761 -1.75622 -1.570133
Co -0.008306 0.027865 0.016406
N -0.386615 1.113796 -1.647004
N -0.48604 1.599663 1.134874
N 0.383927 -1.101072 1.646974
N 1.949255 0.560893 -0.039064
N -1.917782 -0.659453 0.036722
H -0.232855 0.544095 -2.489402
H -1.347486 1.468239 -1.732512
H 0.200989 1.947356 -1.774398
H -0.436879 1.424545 2.147254
H 0.115005 2.418678 0.976441
H -1.439079 1.94855 0.969968
H 0.67556 -2.044238 1.35758
H 1.142502 -0.756989 2.249298
H -0.407876 -1.24783 2.285884
H 2.57759 -0.227471 0.164605
H 2.266721 0.916941 -0.950023
H 2.228894 1.285683 0.634461
H -1.975751 -1.658604 0.273552
H -2.544305 -0.204186 0.712983
H -2.405155 -0.57792 -0.864981

-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


