%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
O -0.000506 1.933779 0.000188
Pd 0.000022 -0.005811 -0.000264
P 2.249397 -0.34783 0.000282
P -2.249263 -0.348065 0.000282
H 0.000559 -1.703333 -0.000673
H 3.226633 0.695566 0.001282
H 2.825713 -1.113571 1.051169
H 2.826648 -1.11232 -1.051019
H -3.226322 0.695454 0.001233
H -2.826559 -1.112563 -1.050997
H -2.825666 -1.113736 1.051184

-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


