%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 -1.60361942 -0.33865263 -0.68755707
C -2.75680906 -0.02629818 -0.09441485
H -3.71425449 -0.25778322 -0.56203792
H -2.82981693 0.47058664 0.87411651
H -1.62136968 -0.8379715 -1.66278153
Co 0.18183109 -0.00863764 -0.01207968
N 0.66982675 -1.85267832 -0.70158447
N 2.22397203 0.31730421 0.72145291
N -0.39777641 1.82297744 0.61575493
N -0.30040509 -0.83951819 1.76653222
N 0.66167384 0.83961003 -1.79449779
H 0.59852965 -1.93103502 -1.72011863
H 1.60990809 -2.18426437 -0.46578927
H 0.0201786 -2.56416596 -0.35292395
H 2.90844385 0.52045929 -0.0121237
H 2.31046384 1.0962066 1.37983618
H 2.6176964 -0.48147483 1.22563872
H -0.83970992 1.83446497 1.53915289
H 0.34047649 2.53141119 0.66011403
H -1.116179 2.19115251 -0.01511111
H -1.27798083 -1.1487648 1.75125429
H 0.24983008 -1.66813064 2.00983503
H -0.20970053 -0.2200665 2.57681976
H -0.17583317 1.00396256 -2.36235786
H 1.12135082 1.75124472 -1.71361283
H 1.28634097 0.28256263 -2.38491283

-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


