%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
F -0.00002 -1.830362 0.000046
Pd 0.000002 0.222758 0.000092
P 2.298401 0.140519 -0.000655
P -2.298397 0.140529 0.00039
H 0.00001 1.782124 0.000178
H 2.857619 -0.636101 -1.036253
H 3.147567 1.265581 -0.065648
H 2.869404 -0.515216 1.109892
H -2.868932 -0.517522 -1.10902
H -2.858062 -0.633928 1.037373
H -3.147587 1.265721 0.062803

-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


