%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 0.94789614 0.00285831 0.03032482
C 1.76689366 0.07492942 1.78155001
C 1.80382784 -1.54196575 -0.76049298
C 1.81300287 1.4681411 -0.89014172
H 1.4578264 -0.78569657 2.39134043
H 1.45883634 0.98279857 2.31900141
H 2.86825651 0.07172748 1.71611478
H 2.90367045 -1.4727223 -0.70449172
H 1.52109191 -1.64495972 -1.8176377
H 1.49279767 -2.46355762 -0.24865866
H 2.91213834 1.39662397 -0.8260915
H 1.50752411 2.4327753 -0.46099869
H 1.53215546 1.4802486 -1.95268834
Pt -1.4244249 0.00564378 -0.00645434
P -3.6713424 0.00136369 -0.03926311
H -4.43081006 -1.07057486 -0.61384955
H -4.45976905 0.04549554 1.15762191
H -4.4366503 1.02177037 -0.69454255

-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


