%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 0.95486106 -0.00909279 0.02988152
C 1.79826796 0.00319822 1.77887718
C 1.85597685 -1.50607776 -0.81648267
C 1.83146645 1.49733687 -0.82570663
H 1.50632753 -0.88147458 2.36345696
H 1.49427505 0.88845334 2.35637906
H 2.89903721 0.01039655 1.70154951
H 2.95332122 -1.41248886 -0.74962285
H 1.58692766 -1.57799164 -1.880435
H 1.56834159 -2.45673543 -0.34415379
H 2.9302652 1.42199561 -0.75894659
H 1.52864107 2.4462126 -0.35930424
H 1.56085822 1.55807571 -1.88996761
Cu -1.35913771 -0.02776204 -0.01129754
C -3.34376965 -0.04310352 -0.0476799
H -3.75525231 -1.07055109 -0.05017502
H -3.78298493 0.47014611 0.82904696
H -3.75058568 0.46154821 -0.94477734

-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


