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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
Si 1.1659264 0.00045127 0.0305461
C 1.82975871 0.00316659 1.81697214
C 1.87877953 -1.53791679 -0.83975263
C 1.88005342 1.53508478 -0.84481944
H 1.48576897 -0.87866075 2.37169545
H 1.49483147 0.8925208 2.3652354
H 2.92933144 -0.00242544 1.8206018
H 2.97789189 -1.52475902 -0.80920007
H 1.57034077 -1.58013712 -1.89179287
H 1.53885529 -2.46233698 -0.35634994
H 2.97909244 1.52279746 -0.81099842
H 1.53773595 2.46134938 -0.36678288
H 1.5749322 1.57209792 -1.89806317
Au -1.22284129 -0.00153814 -0.01039355
P -3.70197594 -0.00988579 -0.04362332
H -4.39328816 -1.24319055 -0.08033847
H -4.41220438 0.57687924 1.02945783
H -4.39003722 0.62820638 -1.10175141

-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


