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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
O 0.538817 1.123352 -0.242351
H 0.864972 1.515354 0.581752
Pd -0.797354 -0.427091 0.053116
P -0.885739 -0.498757 2.334526
P -0.815865 -0.479796 -2.247801
H -1.830187 -1.627534 0.105711
H -0.11505 0.408163 3.10044
H -2.130914 -0.300345 2.969913
H -0.511143 -1.692656 2.988612
H 0.030167 0.494772 -2.813684
H -0.39293 -1.632662 -2.945325
H -2.009578 -0.239547 -2.963239

-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


