%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
B -1.23473354 0.04037342 0.05953771
O -1.97542696 1.18710365 0.06756778
C -3.37534934 0.80357329 0.13008113
C -3.37007362 -0.73651106 -0.03423386
O -1.96957764 -1.11084674 0.05155059
H -3.91142013 1.32117468 -0.66971782
H -3.77179525 1.12727677 1.09769006
H -3.91615734 -1.25694554 0.75693471
H -3.74939748 -1.06186123 -1.00815027
Ti 1.00135246 -0.01341962 -0.01468383
Cl 1.42179501 -1.53594204 1.48263293
Cl 1.52974468 2.02322504 0.53542531
Cl 1.25483715 -0.54783463 -2.11128643

-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


