%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 -1.095627 0.001209 0.00201
C -1.868678 -1.189966 -0.034029
C -3.271762 -1.202685 -0.036611
C -3.989111 -0.00028 -0.002524
C -3.273055 1.202887 0.034033
C -1.870002 1.191629 0.035909
H -1.353627 -2.150612 -0.061357
H -3.808383 -2.153381 -0.065335
H -5.079264 -0.000825 -0.004282
H -3.810777 2.153009 0.061128
H -1.356 2.152796 0.06502
Pd 1.019438 0.001828 0.002861
P 3.22776 0.000237 -0.001534
H 4.010068 1.170645 -0.274562
H 4.01035 -0.352966 1.147239
H 4.003835 -0.823 -0.88264

-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


