%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
Cl -2.024858 -0.039061 0.000349
Co 0.204458 0.00394 -0.000068
N 0.088197 0.010455 2.03108
N 2.303994 0.008667 -0.000364
N 0.08691 0.028572 -2.03099
N 0.142403 2.04242 0.008961
N 0.214428 -2.035247 -0.009113
H -0.3538 -0.84721 2.375963
H 0.951562 0.135089 2.568729
H -0.556705 0.7494 2.329102
H 2.711285 -0.460515 -0.814554
H 2.715984 0.946528 0.003998
H 2.711482 -0.468175 0.809256
H -0.556867 0.771213 -2.322151
H 0.950068 0.156277 -2.568259
H -0.356976 -0.825291 -2.382821
H -0.846226 2.321404 0.009575
H 0.56589 2.490532 0.827125
H 0.567091 2.497884 -0.804501
H -0.764007 -2.348223 -0.009941
H 0.655496 -2.469024 -0.825485
H 0.656427 -2.476293 0.802847

-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


