%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
3 1
P 2.146484 -0.01651 -0.003501
H 2.727522 -0.955948 0.86936
H 2.760818 1.199788 0.350015
H 2.709468 -0.329218 -1.255107
Co -0.221111 0.004906 0.003799
N -0.188439 -1.897573 -0.758584
N -2.307365 -0.044295 -0.043128
N -0.210606 1.895493 0.775815
N -0.27898 0.802275 -1.881963
N -0.309001 -0.735442 1.907722
H 0.288922 -2.588386 -0.16676
H -1.126856 -2.290315 -0.903168
H 0.271938 -1.990334 -1.672194
H -2.776647 0.832061 0.214406
H -2.691298 -0.268515 -0.969155
H -2.723626 -0.744694 0.582505
H 0.209401 2.600657 0.158131
H -1.144323 2.266327 0.989026
H 0.305959 1.989289 1.658787
H 0.584285 1.234116 -2.232881
H -0.537184 0.126304 -2.611108
H -0.984688 1.544954 -1.959701
H 0.565041 -0.732203 2.446606
H -0.971906 -0.213059 2.493625
H -0.633346 -1.708857 1.958528

-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


