%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 -1.08375 -0.00126 0.000163
C -1.77458 -0.001322 1.159425
C -3.166778 -0.000842 1.201627
C -3.878418 -0.000908 -0.000127
C -3.166545 -0.001281 -1.201726
C -1.774374 -0.001318 -1.159227
H -1.186377 -0.001366 2.072199
H -3.675295 -0.000547 2.160313
H -4.964404 -0.000666 -0.000245
H -3.674861 -0.001402 -2.160517
H -1.185994 -0.001292 -2.071892
Pd 1.116495 0.000451 -0.000237
P 1.398328 -2.308741 0.000247
P 1.394399 2.310142 0.000145
H 2.670678 0.001618 -0.00049
H 0.249883 -3.127181 -0.000737
H 2.109426 -2.868194 -1.078137
H 2.106692 -2.866072 1.081477
H 0.244604 3.1267 -0.000033
H 2.102609 2.868732 1.080836
H 2.103795 2.870764 -1.078757

-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


