%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
C -1.16877005 -0.32137209 1.48966177
C -2.32390656 0.35612163 1.61460474
H -2.99343555 0.19937352 2.46265429
H -2.64974224 1.09087618 0.88197634
H -0.88312391 -1.05210513 2.25471118
Ti 0.11157704 -0.08551769 -0.04286204
Cl 1.98391654 0.53849711 0.8927961
Cl -0.74529703 1.4256574 -1.37199196
Cl 0.25567677 -2.06653092 -0.95134142

-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


