%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
C 1.02937 1.010792 0.002372
O 1.921296 1.711559 0.003512
Pd -0.572562 -0.248616 0.000117
P -0.913444 -0.508023 2.308489
P -0.90033 -0.515595 -2.309273
H -1.8069 -1.219372 -0.001907
H -0.059317 0.160161 3.205563
H -2.176775 -0.110585 2.779893
H -0.83829 -1.82836 2.785099
H -0.047526 0.157798 -3.203702
H -0.81123 -1.836463 -2.78209
H -2.164633 -0.130382 -2.788074

-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


