%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
S 1.87157315 0.22802929 -0.59585887
C 2.49371917 0.08188816 0.96573322
N 2.88958909 -0.02747689 2.06527402
Pd -0.53042594 -0.18816169 -0.26902134
P -0.4388246 -0.52682845 2.01720298
P -1.01067541 0.08399412 -2.50942296
H -2.0762012 -0.44719476 -0.11698504
H 0.07672228 0.53562147 2.78323283
H -1.61885634 -0.81637765 2.72949117
H 0.39735423 -1.5695775 2.4586449
H 0.04068033 0.38221856 -3.40403071
H -1.59912759 -0.99737313 -3.19682703
H -1.91909418 1.09884839 -2.87409915

-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


