%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
P 1.30135476 -0.00038015 0.00000033
H 2.02239576 1.22045559 -0.00000368
H 2.02561214 -0.60903573 -1.05611828
H 2.02561351 -0.60903012 1.05612164
Pd -0.98418191 -0.00349382 0.00000039
P -3.27059586 -0.00753127 -0.00000014
H -3.99114142 -1.22863141 -0.00000386
H -3.99524708 0.60066598 1.05613556
H -3.99524689 0.60067196 -1.05613267

-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


