%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:
        
1 1
C 0.000443 1.832784 -0.000159
O 0.000851 2.967071 0.000182
Pd -0.00008 -0.204935 -0.00014
P -2.309043 -0.630095 0.000177
P 2.308743 -0.630761 0.000106
H -0.000196 -1.775273 0.000144
H -3.204627 0.455561 0.005512
H -2.784809 -1.37698 -1.091608
H -2.783365 -1.386385 1.086058
H 3.204642 0.454631 -0.004951
H 2.783885 -1.37771 1.09212
H 2.783193 -1.387262 -1.085575

-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


