%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
F 0.06862141 -0.01497387 -1.78717511
Co -0.00275431 0.00223287 0.02078983
N -1.24273826 1.56250833 -0.17998392
N -0.09096093 0.02424484 2.04155006
N 1.25137411 -1.56041025 -0.06318818
N 1.56921074 1.24503354 -0.07404226
N -1.54819877 -1.25805664 -0.18196483
H -2.21090485 1.44349341 0.13269333
H -0.94327259 2.45498509 0.222346
H -1.2802041 1.69389809 -1.19925075
H 0.40048314 -0.75962385 2.4830329
H 0.32267299 0.86480313 2.45904892
H -1.04500533 -0.01803028 2.4122866
H 1.39352349 -1.68576394 -1.07400993
H 2.18236922 -1.44279501 0.34789192
H 0.91013871 -2.45789145 0.29491671
H 1.76354301 1.29085218 -1.0828754
H 1.42723467 2.21198126 0.2327006
H 2.43596443 0.94433323 0.38104286
H -1.58445481 -1.40692082 -1.19857825
H -1.46865706 -2.18228598 0.25295856
H -2.47351891 -0.91468976 0.09113934

-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


