%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
0 1
C 0.067515 1.999816 0.000006
H 0.608839 2.353311 0.889798
H 0.609221 2.353526 -0.889464
H -0.922953 2.473005 -0.000189
Pd -0.008444 -0.147654 -0.00001
P 2.267722 -0.301421 0.000034
P -2.282796 -0.264548 -0.000032
H -0.036236 -1.798078 0.000123
H 3.075718 0.862496 0.00164
H 2.891765 -0.986856 1.065757
H 2.891376 -0.983622 -1.068006
H -3.088648 0.900917 -0.002051
H -2.910028 -0.947992 -1.065336
H -2.909594 -0.943976 1.068112

-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


