%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
 5D 7F scf=nosym empiricaldispersion=gd3 scrf=(pcm)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
Si 1.22575463 0.00053089 0.00138271
C 1.66860205 0.34990342 -1.78578761
C 1.65807041 1.37649912 1.19836752
C 1.66376275 -1.72239009 0.59483379
H 1.26035815 1.31526041 -2.10256664
H 1.263197 -0.42617089 -2.44351709
H 2.76045508 0.37535084 -1.90749169
H 2.74902096 1.47642457 1.28433026
H 1.24806375 1.16629062 2.19175715
H 1.24705978 2.33098916 0.85307077
H 2.75511858 -1.8426822 0.63992187
H 1.25763727 -2.47876179 -0.08484928
H 1.25195729 -1.90296578 1.59335264
Mn -1.22097528 -0.00116108 -0.00241593
O -1.34547722 -1.18681073 -1.02277495
O -1.34807778 1.47508694 -0.51933051
O -1.35030244 -0.29233943 1.53414396

-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


