%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
I -0.002154 1.720882 0.
Pd 0.001356 -1.054498 0.
P 0.001356 -1.117388 -2.304818
P 0.001356 -1.117388 2.304818
H 0.003568 -2.620464 0.
H 1.077515 -0.471213 -2.945414
H 0.00221 -2.334862 -3.019234
H -1.07594 -0.472798 -2.945112
H 1.077515 -0.471213 2.945414
H -1.07594 -0.472798 2.945112
H 0.00221 -2.334862 3.019234

-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


