Bromocyclopentane, axial, optimized structures
	C  C,1,B1  C,2,B2,1,A1  C,3,B3,2,A2,1,D1,0  C,1,B4,2,A3,3,D2,0  H,1,B5,2,A4,3,D3,0  H,1,B6,2,A5,3,D4,0  H,2,B7,1,A6,5,D5,0  H,2,B8,1,A7,5,D6,0  H,3,B9,2,A8,1,D7,0  H,3,B10,2,A9,1,D8,0  H,4,B11,3,A10,2,D9,0  H,4,B12,3,A11,2,D10,0  H,5,B13,1,A12,2,D11,0  Br,5,B14,1,A13,2,D12,0
	PBE1PBE/6-31G(3d,3p)	M06-2X/6-31G(3d,3p)
	B1=1.53708183  B2=1.54866629  B3=1.53708183  B4=1.51888071  B5=1.09743283  B6=1.0910974  B7=1.09254545  B8=1.09240471  B9=1.09240471  B10=1.09254545  B11=1.0910974  B12=1.09743283  B13=1.08889244  B14=1.95276123  A1=105.8348875  A2=105.8348875  A3=104.54231633  A4=110.53265876  A5=113.76976  A6=111.32655958  A7=110.06019522  A8=110.34089426  A9=112.37923763  A10=113.76976  A11=110.53265876  A12=114.58994631  A13=109.68852283  D1=0.  D2=23.42857174  D3=-91.7673508  D4=147.32062411  D5=145.81179455  D6=-95.79522359  D7=-119.03847434  D8=121.70880586  D9=-147.32062411  D10=91.7673508  D11=-163.78830449  D12=78.83662191	B1=1.54042014  B2=1.55230627  B3=1.54042014  B4=1.52169265  B5=1.09552879  B6=1.08923953  B7=1.09030288  B8=1.09070842  B9=1.09070842  B10=1.09030288  B11=1.08923953  B12=1.09552879  B13=1.08689111  B14=1.95399283  A1=105.75180133  A2=105.75180133  A3=104.23418452  A4=110.50709349  A5=113.72839088  A6=111.34619451  A7=109.86105445  A8=110.21723706  A9=112.38103393  A10=113.72839088  A11=110.50709349  A12=114.7067528  A13=109.42234019  D1=0.  D2=24.09398934  D3=-90.90042602  D4=147.6729142  D5=146.43752569  D6=-94.83081371  D7=-118.68855237  D8=121.67929804  D9=-147.6729142  D10=90.90042602  D11=-164.99549059  D12=77.17518598
	Bromocyclopentane, equatorial, optimized structures
	C  C,1,B1  C,2,B2,1,A1  C,3,B3,2,A2,1,D1,0  C,1,B4,2,A3,3,D2,0  H,1,B5,2,A4,3,D3,0  H,1,B6,2,A5,3,D4,0  H,2,B7,1,A6,5,D5,0  H,2,B8,1,A7,5,D6,0  H,3,B9,2,A8,1,D7,0  H,3,B10,2,A9,1,D8,0  H,4,B11,3,A10,2,D9,0  H,4,B12,3,A11,2,D10,0  H,5,B13,1,A12,2,D11,0  Br,5,B14,1,A13,2,D12,0
	PBE1PBE/6-31G(3d,3p)	M06-2X/6-31G(3d,3p)
	B1=1.53677059  B2=1.5520774  B3=1.53677059  B4=1.51933716  B5=1.09472467  B6=1.09198312  B7=1.09243311  B8=1.09353737  B9=1.09353737  B10=1.09243311  B11=1.09198312  B12=1.09472467  B13=1.09230231  B14=1.93075235  A1=105.93101604  A2=105.93101604  A3=103.02510828  A4=110.99614778  A5=113.77229477  A6=111.36689484  A7=110.46916422  A8=110.34674285  A9=112.22089866  A10=113.77229477  A11=110.99614778  A12=111.14283342  A13=113.03781489  D1=0.  D2=24.82739965  D3=-91.29332428  D4=147.29735091  D5=147.10242376  D6=-94.67796432  D7=-119.58571973  D8=121.7285876  D9=-147.29735091  D10=91.29332428  D11=78.68981539  D12=-164.04800728	B1=1.53977981  B2=1.55584534  B3=1.53977981  B4=1.5213677  B5=1.09327415  B6=1.09009121  B7=1.09020144  B8=1.09154369  B9=1.09154369  B10=1.09020144  B11=1.09009121  B12=1.09327415  B13=1.09084586  B14=1.93218905  A1=105.80947556  A2=105.80947556  A3=102.77029198  A4=110.96737644  A5=113.87285963  A6=111.42351571  A7=110.28554493  A8=110.24833416  A9=112.21311589  A10=113.87285963  A11=110.96737644  A12=111.07985227  A13=112.95811975  D1=0.  D2=25.45358036  D3=-90.26836878  D4=147.78061624  D5=147.67401688  D6=-93.76482673  D7=-119.24296154  D8=121.71390386  D9=-147.78061624  D10=90.26836878  D11=77.36533738  D12=-164.811966
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			Last modified: 23 Sept 2013