%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
Si 2.52407182 -0.00710016 -0.11051143
H 3.22804742 0.00009171 1.22291478
H 3.15030442 -1.18822624 -0.80800183
H 3.15096658 1.16558424 -0.82146028
W -0.13568674 -0.00034261 0.00417069
C -0.06198446 1.30265328 -1.58864381
C 0.09085487 1.58538485 1.29795121
C -2.15883064 0.00943785 0.10539446
C -0.06022457 -1.58866008 -1.30411677
C 0.08704149 -1.30327335 1.58309579
O 0.01974445 2.03733228 -2.48802255
O 0.25666784 2.47913694 2.02590299
O -3.32833633 0.01558126 0.1652862
O 0.0245267 -2.48416174 -2.04298941
O 0.25046515 -2.03722123 2.47219995

-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


