%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:

1 1
Si -1.9563285 -0.00027726 0.00161055
C -2.20184271 -1.68872823 0.74066932
C -2.20287622 1.4843865 1.09179019
C -2.20021826 0.20252666 -1.83025582
H -1.78691054 -1.76074738 1.75199002
H -1.76983441 -2.47724958 0.11588368
H -3.28386082 -1.87849982 0.81155238
H -3.28535409 1.64997398 1.20518775
H -1.77500044 2.39246662 0.65385401
H -1.78581019 1.3334539 2.09295025
H -3.28218838 0.22507687 -2.03271485
H -1.77731169 -0.63356304 -2.39750106
H -1.77586492 1.14198817 -2.20046805
Os 0.84553009 0.00022731 -0.00287869
O 0.97233107 -0.18311621 1.68649656
O 0.96175546 -1.37162853 -1.00735459
O 0.96498557 1.55567904 -0.68926064

-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


