%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 1.0344909 0.0179374 0.06222248
N 2.19980089 0.05968043 0.09828329
Co -0.84145343 -0.05027563 0.00380183
N -0.78339513 -0.01150166 2.04113215
N -2.96574006 -0.1010411 -0.05556935
N -0.65270133 -0.10516531 -2.02639374
N -0.74307959 -2.08720872 0.05148338
N -0.88448803 1.99009985 -0.04922716
H -0.32308646 0.83730288 2.3850812
H -1.67725882 -0.08017193 2.53758386
H -0.19326474 -0.7687882 2.40068064
H -3.36588881 0.25693592 -0.92793352
H -3.36518288 -1.03856382 0.04954994
H -3.41114903 0.45748048 0.67846315
H 0.01526167 -0.83231446 -2.30266434
H -1.50351663 -0.26992176 -2.57318377
H -0.23625498 0.75725753 -2.39129573
H 0.23696926 -2.38880297 0.10595639
H -1.21468898 -2.51893214 0.85209025
H -1.13232504 -2.54976749 -0.77597089
H 0.07340022 2.35955451 -0.07143007
H -1.35989507 2.38500922 -0.86628567
H -1.3339171 2.42876601 0.76034855

-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


