%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 0.000058 0.916719 0.
C -1.200055 1.653946 0.
C -1.206631 3.055647 0.
C -0.000224 3.763354 0.
C 1.206316 3.055886 0.
C 1.20003 1.654182 0.
H -2.156109 1.129935 0.
H -2.153033 3.593961 0.
H -0.000319 4.850956 0.
H 2.15262 3.594376 0.
H 2.156197 1.130378 0.
Pd 0.000026 -1.213784 0.
P 0.000058 -1.131779 2.283671
P 0.000058 -1.131779 -2.283671
H -0.000115 -2.841119 0.
H -1.068843 -0.429705 2.882977
H -0.000536 -2.274123 3.114622
H 1.069808 -0.430901 2.882869
H -1.068843 -0.429705 -2.882977
H 1.069808 -0.430901 -2.882869
H -0.000536 -2.274123 -3.114622

-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


