%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
P -0.028092 2.143339 0.001649
H 1.056316 2.807699 0.611057
H -1.094309 2.777414 0.672339
H -0.072791 2.847777 -1.218942
Pd 0.005781 -0.280844 -0.00703
P -0.051987 -0.702297 -2.299223
P 0.07537 -0.684581 2.292673
H 0.028054 -1.852703 -0.002004
H -0.092508 0.372053 -3.210817
H 1.028844 -1.438982 -2.816888
H -1.138668 -1.469608 -2.756644
H 0.085875 0.388308 3.207114
H -0.984436 -1.45066 2.811004
H 1.18323 -1.4205 2.75071

-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


