equatorial Pseudo-Pelletierine  Optimized Structures    N  C,1,B1  C,1,B2,2,A1  C,2,B3,1,A2,3,D1,0  C,3,B4,1,A3,2,D2,0  C,5,B5,3,A4,1,D3,0  C,2,B6,1,A5,3,D4,0  C,3,B7,1,A6,2,D5,0  C,7,B8,2,A7,1,D6,0  O,6,B9,5,A8,3,D7,0  H,2,B10,1,A9,3,D8,0  H,3,B11,1,A10,2,D9,0  H,5,B12,3,A11,1,D10,0  H,5,B13,3,A12,1,D11,0  H,4,B14,2,A13,1,D12,0  H,4,B15,2,A14,1,D13,0  H,8,B16,3,A15,1,D14,0  H,8,B17,3,A16,1,D15,0  H,7,B18,2,A17,1,D16,0  H,7,B19,2,A18,1,D17,0  H,9,B20,7,A19,2,D18,0  H,9,B21,7,A20,2,D19,0  C,1,B22,3,A21,5,D20,0  H,23,B23,1,A22,3,D21,0  H,23,B24,1,A23,3,D22,0  H,23,B25,1,A24,3,D23,0
	B3P86/6-31G(3d,3p)	PBE1PBE/6-31G(3d,3p)
	B1=1.45619293  B2=1.45619293  B3=1.54067054  B4=1.54067054  B5=1.51144786  B6=1.55821999  B7=1.55821999  B8=1.52756526  B9=1.21195161  B10=1.09353793  B11=1.09353793  B12=1.09583664  B13=1.09180019  B14=1.09180019  B15=1.09583664  B16=1.0933145  B17=1.09583253  B18=1.09583253  B19=1.0933145  B20=1.09383542  B21=1.09350316  B22=1.4447591  B23=1.0941223  B24=1.0941223  B25=1.10165605  A1=111.37882769  A2=107.10314962  A3=107.10314962  A4=110.52931424  A5=113.97947023  A6=113.97947023  A7=112.08077281  A8=122.50983317  A9=106.98092235  A10=106.98092235  A11=108.17433705  A12=112.23750917  A13=112.23750917  A14=108.17433705  A15=110.1399042  A16=109.55170096  A17=109.55170096  A18=110.1399042  A19=109.71052045  A20=109.93957087  A21=116.95653639  A22=109.04537273  A23=109.04537273  A24=115.94212965  D1=68.61584773  D2=-68.61584773  D3=54.95339081  D4=-54.73211219  D5=54.73211219  D6=2.66882305  D7=130.99311331  D8=-175.76039615  D9=175.76039615  D10=-63.10940774  D11=176.69121405  D12=-176.69121405  D13=63.10940774  D14=120.18062915  D15=-123.54030527  D16=123.54030527  D17=-120.18062915  D18=169.74249536  D19=-74.17147049  D20=153.20440441  D21=-170.61029481  D22=-53.54448962  D23=67.92260779	B1=1.45474091  B2=1.45474091  B3=1.53988246  B4=1.53988246  B5=1.51115239  B6=1.55711287  B7=1.55711287  B8=1.5267163  B9=1.21035055  B10=1.09440889  B11=1.09440889  B12=1.09647655  B13=1.09249741  B14=1.09249741  B15=1.09647655  B16=1.09410625  B17=1.09669324  B18=1.09669324  B19=1.09410625  B20=1.09458589  B21=1.0941276  B22=1.44336087  B23=1.09487857  B24=1.09487857  B25=1.10209239  A1=111.36671963  A2=107.08836932  A3=107.08836932  A4=110.33308068  A5=114.02514118  A6=114.02514118  A7=112.07499804  A8=122.57293124  A9=107.00635796  A10=107.00635796  A11=108.18910793  A12=112.24133883  A13=112.24133883  A14=108.18910793  A15=110.16523843  A16=109.5393466  A17=109.5393466  A18=110.16523843  A19=109.70763862  A20=109.99304364  A21=116.9740587  A22=109.05053195  A23=109.05053195  A24=116.02923836  D1=68.65601089  D2=-68.65601089  D3=55.2518126  D4=-54.65660505  D5=54.65660505  D6=2.59706007  D7=130.17417811  D8=-175.73739465  D9=175.73739465  D10=-62.77403686  D11=176.89218477  D12=-176.89218477  D13=62.77403686  D14=120.30091807  D15=-123.41246785  D16=123.41246785  D17=-120.30091807  D18=169.75595228  D19=-74.1684606  D20=153.13029663  D21=-170.564861  D22=-53.56633248  D23=67.93440326
			PP_eq_zm.html
			Last modified: 30 May 2016