%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 1.17833154 0.00027143 0.02738992
C 1.89789344 -0.00451504 1.8077454
C 1.99309891 -1.52152621 -0.81233645
C 2.000689 1.52140133 -0.806027
H 1.55825697 -0.88542024 2.36835311
H 1.57441789 0.88469916 2.36482221
H 2.99883632 -0.0146199 1.7916569
H 3.09104287 -1.47428783 -0.74279185
H 1.71967032 -1.58664225 -1.87349081
H 1.66187084 -2.45285784 -0.33336493
H 3.09865785 1.46474278 -0.74456515
H 1.68044388 2.45171187 -0.31764616
H 1.72077835 1.59721497 -1.86477257
W -1.49701507 0.00510844 -0.03428283
C -1.35369358 -1.4217068 -1.50732148
C -1.35337324 1.45786313 -1.48183089
C -3.52534906 0.00423191 0.00942456
C -1.27989277 -1.4656941 1.38410563
C -1.28187072 1.45242916 1.40853124
O -1.22106937 -2.22195189 -2.34461596
O -1.22059752 2.27330158 -2.30430973
O -4.69598094 0.00318544 0.04496399
O -1.09295218 -2.300635 2.17658592
O -1.09737073 2.27482947 2.21455014

-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


