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

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
H 1.066852 0.70356 0.
H 0.573122 1.295528 0.
Pd -0.658149 -0.234481 0.
P -0.903671 -0.439676 2.327204
P -0.903671 -0.439676 -2.327204
H -1.836086 -1.218317 0.
H -0.028572 0.291768 3.153104
H -2.153959 -0.067416 2.852181
H -0.759037 -1.736195 2.852111
H -0.028572 0.291768 -3.153104
H -0.759037 -1.736195 -2.852111
H -2.153959 -0.067416 -2.852181

-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


