%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
0 1
N -0.771278 -1.045835 -0.000021
C -1.964182 -1.03284 -0.000003
S -3.584236 -0.997748 0.000006
Pd 0.843064 0.309459 0.000003
P -0.573126 2.131875 -0.000007
P 2.440353 -1.362565 0.000002
H 2.025628 1.336814 0.000035
H -0.503347 3.043542 1.073268
H -0.502935 3.043923 -1.07293
H -1.953377 1.835867 -0.000303
H 3.356503 -1.432008 1.070464
H 1.96337 -2.68924 -0.000128
H 3.356606 -1.431817 -1.070384

-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


