%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 -0.10032134 1.99602134 0.03184785
H -1.01600688 2.31399534 0.55159051
H 0.76093815 2.39836069 0.58508174
H -0.10332847 2.45587148 -0.96487843
Pd 0.00217127 -0.14984628 -0.01446592
P -0.03443333 -0.27406249 2.26320993
P 0.05145114 -0.2959429 -2.28659367
H 0.08020851 -1.79865105 -0.0194841
H -0.10633221 0.89880411 3.05490252
H -1.07854306 -1.00102256 2.87670894
H 1.0523177 -0.89688678 2.91598438
H 0.01414912 0.85781882 -3.10827071
H 1.15959521 -0.93627745 -2.88440412
H -0.97129382 -1.03315627 -2.92372891

-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


