%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:
        
0 1
H -0.000647 1.617889 0.
Pd 0. -0.040258 0.
P 0. 0.041391 2.276249
P 0. 0.041391 -2.276249
H 0.000584 -1.67944 0.
H -1.067325 0.724983 2.900328
H -0.000009 -1.11408 3.089516
H 1.067366 0.724941 2.900316
H -1.067325 0.724983 -2.900328
H 1.067366 0.724941 -2.900316
H -0.000009 -1.11408 -3.089516

-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


