%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 1.236576 -0.041126 -0.002334
O 1.977346 -1.06366 -0.521512
C 3.378429 -0.724757 -0.340424
C 3.366798 0.732976 0.182521
O 1.970614 1.008884 0.471132
H 3.887701 -0.83471 -1.301414
H 3.80719 -1.431219 0.377479
H 3.943059 0.866583 1.101802
H 3.708178 1.45592 -0.565246
Ti -1.000813 0.001484 0.025284
Cl -1.369574 0.713604 2.04854
Cl -1.505926 -2.080428 -0.349267
Cl -1.330108 1.390163 -1.620531

-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


