%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:

-1 1
C 2.00046793 0.69942322 -0.21115173
C 3.14426473 0.08830233 0.18533204
H 4.14684444 0.53034912 0.06579031
H 3.14282092 -0.89820115 0.65645015
H 2.19498215 1.68845506 -0.66584753
Pd 0.00486763 0.06889263 -0.09236317
P -2.11640321 -0.54453791 0.0068087
H -2.62452494 -1.72613398 -0.63099092
H -2.79692795 -0.82735697 1.23889145
H -3.18767969 0.27406965 -0.48541929

-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


