%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
Cl 1.17653802 0.82932409 -0.00000004
Pd -0.95011333 -0.35485087 -0.00000004
P -0.95984415 -0.36041734 2.30389775
P -0.95984415 -0.36041734 -2.30389783
H -2.3148054 -1.11489497 -0.00000004
H -0.89366777 0.90906629 2.91292813
H -1.99176627 -0.93702077 3.0744751
H 0.15603037 -0.96979029 2.91246543
H -0.89366778 0.90906629 -2.91292821
H 0.15603036 -0.96979029 -2.91246552
H -1.99176628 -0.93702076 -3.07447518

-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


