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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
C 1.12981669 0.01240043 0.0903221
C 1.84546467 -0.96587099 0.8071098
C 3.23468388 -0.9333859 0.88027877
C 3.96136464 0.08688448 0.23337319
C 3.260144 1.07037288 -0.48585773
C 1.86017326 1.02227648 -0.54890391
H 1.33758071 -1.77767567 1.32611222
H 3.78409233 -1.68903949 1.43375269
O 5.29378909 0.02603936 0.36564785
H 3.78488274 1.8702711 -0.99586151
H 1.36546095 1.80821488 -1.11914157
C 6.1224764 1.02113125 -0.2586266
H 5.89623386 2.01772325 0.13786054
H 7.14487715 0.74650572 -0.0019353
H 5.9964119 1.00244175 -1.34737022
Co -0.82336459 -0.04761288 -0.00472086
N -0.89550456 -0.37049392 1.99379007
N -3.02864142 -0.13143585 -0.09584236
N -0.72658314 0.2695459 -2.00373876
N -0.72189105 -2.02412333 -0.44136076
N -0.89652349 1.93041496 0.42265024
H -0.04917825 0.0102466 2.42857154
H -1.69063039 0.05825603 2.47532082
H -0.91287464 -1.35335361 2.27704601
H -3.41453477 0.03774127 -1.02827007
H -3.41515808 -1.03534176 0.18826557
H -3.5052056 0.54993495 0.49994018
H 0.2193536 0.04789487 -2.33039604
H -1.36644439 -0.30041546 -2.56353793
H -0.89398331 1.23224576 -2.30739409
H 0.18645817 -2.22841422 -0.86968587
H -0.7767497 -2.65543282 0.36186353
H -1.43565678 -2.36021158 -1.09386762
H -0.00628361 2.21459084 0.84367004
H -1.02062325 2.54990971 -0.38211729
H -1.62926199 2.20439366 1.08246326

-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


