%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
C -0.002169 3.043983 0.000062
N -0.001233 1.891505 -0.000003
H -0.003136 4.119667 0.000018
Pd 0.000255 -0.259369 -0.000114
P -2.31314 -0.591684 0.000136
P 2.313802 -0.589857 0.000098
H 0.001121 -1.802545 -0.000232
H -3.152241 0.540458 0.004117
H -2.847477 -1.310322 -1.084936
H -2.846405 -1.317059 1.081217
H 3.152361 0.542685 -0.003351
H 2.847929 -1.308334 1.085378
H 2.847833 -1.314904 -1.080821

-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


