%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 -1.63735068 0.00080769 -0.00129014
C -2.50821268 -1.20391548 -1.25239579
C -2.54241859 -0.47405889 1.65081485
C -2.51684503 1.67863593 -0.43226376
H -2.22294058 -2.24751832 -1.05610369
H -2.21508572 -0.9755766 -2.28726299
H -3.60808403 -1.13133219 -1.18397952
H -3.63962839 -0.43387355 1.53266148
H -2.26203414 0.20827835 2.4661234
H -2.27152724 -1.49109489 1.96911691
H -3.61597998 1.57205775 -0.41873137
H -2.22123419 2.03394501 -1.42988737
H -2.24226715 2.4628328 0.28803077
Pd 0.77821208 -0.00060376 0.01300888
P 3.02718776 0.000412 -0.01195189
H 3.82845576 -0.32988757 1.13038051
H 3.79449888 -0.83366601 -0.88987864
H 3.80105892 1.16841574 -0.31566564

-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


