# B3PW91/6-311+G(df,pd) prop scf=tight Piperidine, chair, axial  MP2/6-311+G(2d,2p) opt structure 0  1  C  C,1,B1  C,2,B2,1,A1  C,3,B3,2,A2,1,D1,0  C,4,B4,3,A3,2,D2,0  N,5,B5,4,A4,3,D3,0  H,6,B6,5,A5,4,D4,0  H,3,B7,2,A6,1,D5,0  H,3,B8,2,A7,1,D6,0  H,1,B9,6,A8,5,D7,0  H,1,B10,6,A9,5,D8,0  H,2,B11,1,A10,6,D9,0  H,2,B12,1,A11,6,D10,0  H,4,B13,3,A12,2,D11,0  H,4,B14,3,A13,2,D12,0  H,5,B15,4,A14,3,D13,0  H,5,B16,4,A15,3,D14,0       Variables:  B1=1.52922619  B2=1.52832498  B3=1.52832498  B4=1.52922619  B5=1.46504343  B6=1.01314219  B7=1.09270716  B8=1.08891137  B9=1.08825242  B10=1.09221761  B11=1.09249364  B12=1.09030605  B13=1.09249364  B14=1.09030605  B15=1.08825242  B16=1.09221761  A1=110.2569474  A2=110.25598484  A3=110.2569474  A4=113.92790245  A5=108.91475291  A6=109.00188459  A7=110.80866335  A8=108.37430048  A9=107.10131979  A10=109.02473352  A11=110.09934992  A12=109.4339437  A13=110.81124732  A14=110.99050957  A15=109.11089644  D1=-54.37501773  D2=54.37501773  D3=-54.61642543  D4=-66.74037823  D5=65.2386397  D6=-177.42281113  D7=-177.51230949  D8=67.31481444  D9=-65.54259457  D10=177.1861365  D11=-65.53712798  D12=176.52566612  D13=-177.27408094  D14=65.00210437
	# B3PW91/6-311+G(df,pd) prop scf=tight Piperidine, chair, equatorial  MP2/6-311+G(2d,2p) opt structure 0  1  C  C,1,B1  C,2,B2,1,A1  C,3,B3,2,A2,1,D1,0  C,4,B4,3,A3,2,D2,0  N,5,B5,4,A4,3,D3,0  H,6,B6,5,A5,4,D4,0  H,3,B7,2,A6,1,D5,0  H,3,B8,2,A7,1,D6,0  H,1,B9,6,A8,5,D7,0  H,1,B10,6,A9,5,D8,0  H,2,B11,1,A10,6,D9,0  H,2,B12,1,A11,6,D10,0  H,4,B13,3,A12,2,D11,0  H,4,B14,3,A13,2,D12,0  H,5,B15,4,A14,3,D13,0  H,5,B16,4,A15,3,D14,0       Variables:  B1=1.52319907  B2=1.52845539  B3=1.52845539  B4=1.52319907  B5=1.46368548  B6=1.01071348  B7=1.09258806  B8=1.08895645  B9=1.08792275  B10=1.100388  B11=1.09006507  B12=1.08939444  B13=1.09006507  B14=1.08939444  B15=1.08792275  B16=1.100388  A1=110.20843967  A2=110.45831863  A3=110.20843967  A4=109.18556788  A5=109.73363422  A6=109.02851972  A7=110.66610958  A8=108.56320484  A9=111.91124177  A10=108.53700353  A11=109.89189184  A12=109.67497571  A13=110.63921351  A14=110.68341071  A15=108.72171715  D1=-53.90521851  D2=53.90521851  D3=-57.80681185  D4=-175.09345484  D5=65.8808547  D6=-176.81371642  D7=175.91390966  D8=57.08305594  D9=-62.31423859  D10=179.98981243  D11=-65.52686736  D12=175.64597704  D13=-177.25656014  D14=64.54469061

			Piperidine_zm.html
			Last modified: 26 Dec 2005