%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
O 0.343101 1.879245 0.000085
H -0.461552 2.419358 -0.000795
Pd -0.028137 -0.155138 0.000049
P -2.312222 -0.182348 -0.000051
P 2.269353 -0.292536 -0.000019
H -0.139473 -1.735701 -0.000244
H -3.033467 1.035394 0.000026
H -2.981189 -0.819147 -1.067999
H -2.980966 -0.819191 1.068011
H 2.882777 0.97612 0.001299
H 2.953645 -0.91696 1.065979
H 2.952753 -0.914243 -1.06818

-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


