%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:

1 1
P 1.03285913 0.00062255 0.02520501
C 1.64420086 0.18785723 1.74091965
C 1.70301136 -1.56706355 -0.64331285
C 1.72142865 1.37571431 -0.96904137
H 1.27667544 -0.63589932 2.35973519
H 1.29114966 1.13460285 2.16002408
H 2.74013172 0.1788332 1.73998419
H 2.79787166 -1.54176865 -0.60102354
H 1.38498692 -1.69559263 -1.68208721
H 1.33820075 -2.41136221 -0.0509951
H 2.81604262 1.3468338 -0.92161793
H 1.36856097 2.33309391 -0.57473137
H 1.4026763 1.27900969 -2.01104938
Ti -1.47386619 0.01266 -0.04121586
Cl -1.82935796 1.95332316 0.80649174
Cl -1.85827475 -1.69637139 1.20048927
Cl -1.76123714 -0.21328473 -2.15713156

-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


