%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
B -1.109104 0.000664 0.002014
O -1.905483 -1.136845 -0.10831
C -3.289232 -0.743922 -0.200979
C -3.289858 0.746409 0.193815
O -1.905432 1.138596 0.108285
H -3.886131 -1.369268 0.470414
H -3.630496 -0.90426 -1.231366
H -3.882934 1.37207 -0.480663
H -3.636356 0.906944 1.222421
Pd 1.018047 -0.000063 0.007339
P 1.129552 -2.275562 0.058409
P 1.131183 2.275372 -0.042977
H 2.703062 -0.000798 0.011561
H -0.027519 -3.084251 0.076461
H 1.820385 -2.905197 -1.000607
H 1.828577 -2.864329 1.135422
H -0.025349 3.084701 -0.066257
H 1.817403 2.904396 1.019401
H 1.835504 2.864072 -1.116572

-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


