%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
C 1.16312502 -0.02562543 0.00626286
C 1.88536215 -1.0230594 0.68036706
C 3.28488185 -1.01278815 0.69520107
C 3.95298587 0.00856375 0.02661664
C 3.27033438 1.01382789 -0.6515063
C 1.87090424 0.9898112 -0.65713969
H 1.38614341 -1.83185891 1.21002879
H 3.85129417 -1.77961239 1.2133927
N 5.44135775 0.0261076 0.03685304
H 3.82539418 1.79432738 -1.16150579
H 1.35908108 1.786304 -1.19398529
O 5.98690161 0.94418408 -0.56528434
O 6.00008565 -0.87903885 0.64641958
Co -0.79292528 -0.05069749 -0.01065431
N -0.80258942 -0.39456546 1.98687451
N -2.99431773 -0.09064111 -0.01715723
N -0.77601309 0.28907579 -2.01113693
N -0.75664134 -2.02491547 -0.47315853
N -0.81862963 1.92555308 0.44530013
H 0.05666534 -0.03549533 2.41477483
H -1.57938944 0.04257519 2.49069402
H -0.83474267 -1.38048212 2.25919542
H -3.41406633 0.08739251 -0.93356315
H -3.39009859 -0.9862393 0.28148895
H -3.43571317 0.5994967 0.59598322
H 0.13483908 0.03299316 -2.40527115
H -1.47293676 -0.24279998 -2.539977
H -0.9189975 1.26283404 -2.29239158
H 0.11810914 -2.26203816 -0.95163174
H -0.79421911 -2.66292516 0.32616035
H -1.5141231 -2.33023623 -1.09097883
H 0.07308867 2.20311391 0.86754003
H -0.93938771 2.55632766 -0.3516511
H -1.54597496 2.20182991 1.11056262

-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


