%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
S 1.75189497 0.46309854 -0.00010173
H 1.7487276 1.38945074 0.98284432
H 1.74866891 1.3895108 -0.98299036
Pd -0.59147104 -0.43582884 -0.00006688
P -0.94049599 -0.59670755 2.30431978
P -0.94055829 -0.59671292 -2.30444445
H -2.0122089 -1.05936287 -0.00004288
H 0.05724301 -0.15119466 3.19590501
H -2.06033901 0.08710877 2.81140896
H -1.17028646 -1.89100062 2.80501579
H 0.05716069 -0.15121262 -3.19605833
H -1.17037375 -1.89100594 -2.80512906
H -2.06040902 0.08711129 -2.81150614

-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


