%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
N -0.001018 1.134858 0.
C 1.153866 1.833015 0.
C 1.197976 3.226623 0.
C -0.001578 3.940955 0.
C -1.200782 3.226199 0.
C -1.156152 1.83251 0.
H 2.063962 1.242613 0.
H 2.158085 3.733687 0.
H -0.001765 5.027645 0.
H -2.161103 3.732861 0.
H -2.066003 1.241758 0.
Pd 0. -1.021625 0.
P 0.00292 -3.22685 0.
H 1.22057 -3.959139 0.
H -0.605201 -3.960867 1.053897
H -0.605201 -3.960867 -1.053897

-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


