%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
P -0.02809154 2.14333873 0.00164928
H 1.0563165 2.80769867 0.61105668
H -1.0943087 2.77741358 0.67233894
H -0.07279137 2.84777672 -1.218942
Pd 0.00578113 -0.28084379 -0.0070297
P -0.05198685 -0.70229742 -2.29922281
P 0.07537016 -0.6845806 2.29267255
H 0.02805362 -1.85270279 -0.00200374
H -0.09250776 0.37205265 -3.2108165
H 1.02884442 -1.438982 -2.81688755
H -1.13866821 -1.46960807 -2.75664352
H 0.08587514 0.38830755 3.20711448
H -0.98443597 -1.45065984 2.81100439
H 1.18323043 -1.42050038 2.7507095

-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


