%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
C -1.284624 -0.000197 -0.000073
N -2.145104 1.061366 -0.000016
C -3.481912 0.681688 0.000099
C -3.483307 -0.677702 0.00007
N -2.147148 -1.059968 0.000002
H -4.295564 1.390457 0.000167
H -4.298287 -1.384931 0.000115
H -1.805994 2.011973 -0.000051
H -1.809848 -2.011218 -0.000012
Pd 0.764504 -0.002007 -0.000056
P 3.021262 0.002693 0.000095
H 3.753226 1.22034 0.00167
H 3.75752 -0.604919 1.052339
H 3.757659 -0.602281 -1.053569

-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


