%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
C 1.05894278 0.09778696 0.00092708
C 2.24567503 0.40729441 0.00156446
H 3.27976762 0.67721782 0.0022972
Pd -0.93770027 -0.42304362 -0.0003882
P -0.94439323 -0.40411177 2.29242662
P -0.93110541 -0.4414143 -2.29304366
H -2.48949708 -0.82752683 -0.00246029
H -0.55470719 0.80800087 2.89859645
H -2.08632074 -0.68902382 3.07157911
H -0.02377245 -1.27047097 2.91729841
H -0.54755747 0.76397909 -2.91633323
H -0.00055396 -1.31038997 -2.89919712
H -2.06682255 -0.7473105 -3.0732674

-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


