%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
F -0.052035 -0.039361 -1.787728
Co 0.001816 0.001942 0.020453
N 1.371978 1.447817 -0.190334
N 0.063603 0.056836 2.041568
N -1.376091 -1.453266 -0.053614
N 1.445232 -1.38251 -0.135956
N -1.462956 1.362952 -0.12073
H 1.129655 2.384818 0.145204
H 2.307112 1.266756 0.184906
H 1.470698 1.520868 -1.211358
H -0.63398 -0.545294 2.490669
H 0.963344 -0.24469 2.43078
H -0.099299 0.989372 2.433069
H -1.506809 -1.593513 -1.064022
H -1.121595 -2.366356 0.335064
H -2.302307 -1.24488 0.332202
H 1.491213 -1.550961 -1.149424
H 2.391223 -1.114474 0.151261
H 1.277831 -2.290208 0.307718
H -1.641524 1.396264 -1.13265
H -2.356083 1.149592 0.333678
H -1.242559 2.321725 0.163671

-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


