%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:

3 1
O 0.49935522 1.59511634 1.11411017
H -0.09252739 2.31985957 1.40041295
H 1.34810255 1.74517004 1.57740488
Co -0.00858096 -0.02818062 -0.01635992
N -0.56166487 -1.00781461 1.66403
N -0.5122006 -1.62021695 -1.09410603
N 0.55898804 0.9950694 -1.66497208
N 1.90345559 -0.67547862 0.19426953
N -1.86518227 0.77172684 -0.19551089
H -0.42662304 -0.40855137 2.48894423
H -1.54664433 -1.29889024 1.70016262
H -0.03770818 -1.86832109 1.86732388
H -0.38682232 -1.4973715 -2.1076073
H 0.02406528 -2.46554078 -0.8596097
H -1.49414593 -1.90240248 -0.97855042
H 0.89074987 1.93168906 -1.39844065
H 1.33140051 0.57706687 -2.19908524
H -0.17902676 1.15855621 -2.36160735
H 2.5924832 0.06266101 -0.00116112
H 2.13822891 -1.00579965 1.13934704
H 2.17927674 -1.44747534 -0.42629359
H -1.84409222 1.75998334 -0.47950994
H -2.47447968 0.32318565 -0.89171234
H -2.41388238 0.76338893 0.67403327

-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


