%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
N 0.011425 2.140662 -0.000492
H 0.481744 2.516682 -0.825799
H 0.507069 2.513374 0.811386
H -0.915703 2.567566 0.014719
Pd -0.006188 -0.091426 -0.004819
P -2.307598 -0.452379 0.029594
P 2.299359 -0.438177 -0.040745
H -0.005016 -1.640544 -0.008077
H -3.186002 0.652379 0.045512
H -2.845527 -1.18267 -1.046204
H -2.812407 -1.187519 1.118064
H 3.172366 0.670747 -0.052392
H 2.841139 -1.170073 1.032042
H 2.808087 -1.166774 -1.131797

-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


