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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

3 1
P 2.146817 -0.018976 0.004724
H 2.722309 -1.166307 0.58306
H 2.759192 1.048554 0.688197
H 2.717419 0.030139 -1.281067
Co -0.220775 0.004029 0.003891
N -0.183772 -1.609008 -1.260412
N -2.30671 -0.026112 -0.067126
N -0.214663 1.602872 1.274364
N -0.266915 1.297541 -1.583542
N -0.320492 -1.23955 1.623869
H 0.289818 -2.438784 -0.882872
H -1.121355 -1.94379 -1.514646
H 0.28219 -1.443168 -2.160752
H -2.777403 0.743995 0.422704
H -2.684991 0.018603 -1.021123
H -2.726934 -0.87286 0.334966
H 0.20926 2.451962 0.881259
H -1.149603 1.90096 1.577406
H 0.296488 1.44475 2.151291
H 0.598568 1.808716 -1.79448
H -0.520761 0.853214 -2.474269
H -0.971996 2.033623 -1.454377
H 0.550225 -1.388958 2.147209
H -0.986887 -0.900822 2.328703
H -0.645322 -2.187649 1.398233

-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


