%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:
        
1 1
N -0.02963 2.140575 -0.000001
H -0.515149 2.511467 0.8188
H -0.51547 2.511524 -0.818585
H 0.894561 2.574068 -0.000174
Pd 0.003798 -0.091335 0.000002
P 2.307975 -0.435902 -0.000004
P -2.299503 -0.454487 0.000004
H 0.0136 -1.640427 0.000055
H 3.178637 0.675083 -0.000234
H 2.834613 -1.164691 1.082378
H 2.83455 -1.165088 -1.082149
H -3.180455 0.648198 0.000599
H -2.819632 -1.187877 -1.082435
H -2.81962 -1.18903 1.081659

-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


