%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
O 0.99383583 0.13271636 -0.1971109
C 1.77518259 1.24122007 0.24404483
C 3.02538445 0.8060867 0.48177821
C 3.07531174 -0.61257506 0.19469728
C 1.85421897 -1.00458985 -0.21042304
H 1.25360312 2.18563536 0.27813584
H 3.85031083 1.42368734 0.81163068
H 3.94449433 -1.25255662 0.27006847
H 1.39813618 -1.92101162 -0.55289553
Ti -0.99562196 0.02147335 0.00639761
Cl -1.7550541 1.93061238 -0.57020198
Cl -1.39894772 -0.40728523 2.05519774
Cl -1.63217526 -1.56058238 -1.27653295

-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


