CCL: Strange NBO DEL Calculation Results

["Hemant Srivastava" <hemantkrsri\a/gmail.com>]

 Sent to CCL by: "Hemant Srivastava" [hemantkrsri*o*gmail.com]
 Dear Friends,
 I am doing NBO Del calculations, the input file is as follows
 -----------------------------------------------------------------------------------------------------------
 %chk=c_cyc_6_reac_res1.chk
 %mem=120MW
 # HF/6-31g* scrf=(solvent=water,read,pcm)  pop=(full,nbodel)
 choose resonance structure-1
 0 1
  X	Y	Z
 Radii=UAHF
 $NBO NBO $END
 $Choose
 LONE
 a 1
 b 2
 end
 BOND S 1 2
      	S 3 5
 end
 $END
 $del nostar
 $End
 ---------------------------------------------------------------------------------------------------------------------
 I have made four different resonance structure of the same molecule
 and calculated deletion energies. Surprisingly I am getting the NBO
 default resonance structure higher in deletion energy than two of the
 structures I choose. Does anyone know if it make sense. Following is
 the energy of deletions of all four resonance structures.
 Resonance Structure-1	Energy of deletion : 	-1509.149678811
 Resonance Structure-2	Energy of deletion :	-1509.102611727
 Resonance Structure-3	Energy of deletion : 	-1509.131159010
 Resonance Structure-4	Energy of deletion : 	-1509.117304249 (Default Structure)
 Thanks in advance
 Hemant Srivastava
 The Hebrew University of Jerusalem
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