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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
C 0.31279439 0.09971412 -0.0082701
C 1.02896666 1.32756714 -0.03228786
C 2.42631723 1.41757563 -0.03267623
C 3.19968339 0.25238778 -0.00858635
C 2.55918043 -0.98936883 0.0153036
C 1.15044426 -1.03924151 0.01489652
H 0.47108284 2.2637684 -0.05151933
H 2.93509721 2.38095816 -0.05134933
O 4.58324647 0.43267473 -0.01066702
H 3.12672624 -1.91717528 0.0341863
H 0.69607141 -2.02998263 0.03406716
C 5.39019003 -0.72210761 0.01603536
H 5.22084388 -1.36203788 -0.86469137
H 6.42753615 -0.37215102 0.01112273
H 5.21629738 -1.32377302 0.92246867
Pd -1.79976928 -0.01391361 -0.00428138
P -4.00317622 -0.13592383 0.00680996
H -4.84594723 0.9920613 0.2789452
H -4.77145767 -0.5349711 -1.13689382
H -4.73114757 -0.99592095 0.8941643

-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


