%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:
        
-1 1
B 1.061356 0.181862 -0.202167
O 1.97032 -0.087849 0.853843
C 3.307052 0.231318 0.450047
C 3.222293 0.361231 -1.079424
O 1.825629 0.53788 -1.343842
H 3.992244 -0.561762 0.779228
H 3.617608 1.175761 0.925596
H 3.784569 1.21939 -1.472159
H 3.579371 -0.548364 -1.589044
Pd -1.057693 0.076536 -0.092215
P -3.306392 -0.02984 0.037638
H -4.015384 -1.261401 0.233129
H -4.060399 0.654331 1.04817
H -4.184889 0.397212 -1.013901

-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


