%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
C 0.000351 1.74045 -0.000198
N 0.000829 2.911004 0.000108
Pd -0.000093 -0.329994 0.000006
P 2.300678 -0.387436 0.000036
P -2.300861 -0.386873 0.000009
H -0.000377 -1.923412 0.000077
H 2.933285 0.27319 1.072832
H 3.032129 -1.592282 0.003063
H 2.933057 0.267443 -1.076437
H -2.93342 0.271422 1.074262
H -2.933509 0.270157 -1.074984
H -3.032043 -1.591877 0.0007

-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


