%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
P -0.029751 2.143459 0.
H -0.676717 2.785102 1.0763
H -0.678234 2.785063 -1.075411
H 1.183153 2.862442 -0.000868
Pd 0.006793 -0.280701 0.
P 2.304553 -0.674919 -0.000001
P -2.288995 -0.711789 0.000001
H 0.019831 -1.852671 0.000013
H 3.204088 0.410304 -0.000071
H 2.800896 -1.421084 1.084323
H 2.800886 -1.421209 -1.084243
H -3.216062 0.350261 0.000192
H -2.768729 -1.468443 -1.084464
H -2.768668 -1.468787 1.084251

-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


