%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
Si 1.1018604 0.00199548 0.02793834
C 1.62956594 0.19033831 1.83714181
C 1.68909803 -1.65027893 -0.68799978
C 1.71191084 1.45779206 -1.01906688
H 1.24628166 -0.63313579 2.45004623
H 1.26312486 1.13142443 2.26213756
H 2.72644765 0.1875288 1.90954398
H 2.78745924 -1.69326168 -0.67841509
H 1.35280857 -1.77696846 -1.72311317
H 1.31051512 -2.49413119 -0.10049052
H 2.8107617 1.48658344 -1.01526643
H 1.3455025 2.41211175 -0.62448853
H 1.37768366 1.36731627 -2.05864812
Ti -1.4713595 0.01269382 -0.04367132
Cl -1.77954338 1.99343549 0.83910019
Cl -1.80492321 -1.74733178 1.21669543
Cl -1.70213408 -0.2049038 -2.21080071

-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


