%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
Xe 1.29544191 1.97683543 0.00117341
Pd -0.70303569 -0.2071925 -0.00020852
P -0.9016749 -0.42426609 2.32491009
P -0.90172798 -0.42451264 -2.3252594
H -1.73557275 -1.3343479 0.00037061
H -0.12308233 0.42541513 3.13581133
H -2.18196618 -0.21506939 2.8689364
H -0.58133679 -1.68146592 2.86869688
H -0.1238593 0.42571293 -3.13628433
H -0.58046629 -1.68151267 -2.86896743
H -2.18222859 -0.21634228 -2.86917924

-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


