%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
C -0.222001 0.886636 0.
C -1.567514 1.303014 0.
C -1.921699 2.659244 0.
C -0.928631 3.644172 0.
C 0.415724 3.258218 0.
C 0.75745 1.898792 0.
H -2.363641 0.558158 0.
H -2.972078 2.945885 0.
H -1.198597 4.697736 0.
H 1.198813 4.014679 0.
H 1.813687 1.628631 0.
Pd 0.306624 -1.177243 0.
P 0.286308 -1.097795 2.283671
P 0.286308 -1.097795 -2.283671
H 0.71029 -2.753718 0.
H -0.923374 -0.682912 2.882977
H 0.56919 -2.20456 3.114622
H 1.148687 -0.153392 2.882869
H -0.923374 -0.682912 -2.882977
H 1.148687 -0.153392 -2.882869
H 0.56919 -2.20456 -3.114622

-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


