equatorial Pseudopelletierine  Optimized Structures    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  C,5,B5,4,A4,3,D3,0  C,6,B6,5,A5,4,D4,0  C,7,B7,6,A6,5,D5,0  N,5,B8,4,A7,3,D6,0  C,9,B9,5,A8,4,D7,0  O,3,B10,2,A9,1,D8,0  H,1,B11,9,A10,5,D9,0  H,2,B12,1,A11,9,D10,0  H,2,B13,1,A12,9,D11,0  H,4,B14,3,A13,2,D12,0  H,4,B15,3,A14,2,D13,0  H,5,B16,4,A15,3,D14,0  H,6,B17,5,A16,4,D15,0  H,6,B18,5,A17,4,D16,0  H,7,B19,6,A18,5,D17,0  H,7,B20,6,A19,5,D18,0  H,8,B21,7,A20,6,D19,0  H,8,B22,7,A21,6,D20,0  H,10,B23,9,A22,5,D21,0  H,10,B24,9,A23,5,D22,0  H,10,B25,9,A24,5,D23,0
	B3P86/6-31G(3d,3p)	PBE1PBE/6-31G(3d,3p)
	B1=1.53532689  B2=1.5121694  B3=1.5121694  B4=1.53532689  B5=1.53689082  B6=1.52887969  B7=1.52887969  B8=1.46348046  B9=1.44688755  B10=1.21170049  B11=1.09540544  B12=1.09658582  B13=1.09238258  B14=1.09658582  B15=1.09238258  B16=1.09540544  B17=1.09624331  B18=1.09479812  B19=1.0943237  B20=1.09571952  B21=1.09624331  B22=1.09479812  B23=1.09369843  B24=1.10290799  B25=1.09369843  A1=113.52004519  A2=115.65301627  A3=113.52004519  A4=112.61576517  A5=111.75058019  A6=110.87389427  A7=107.82891478  A8=114.24430969  A9=122.15562122  A10=107.01615533  A11=107.70985303  A12=112.50848534  A13=106.28087513  A14=108.62004757  A15=107.76524186  A16=108.63707764  A17=109.7837358  A18=110.06943326  A19=110.05428787  A20=109.47821256  A21=110.71900834  A22=109.23761388  A23=115.22942577  A24=109.23761388  D1=-37.56271171  D2=37.56271171  D3=74.42293843  D4=-68.25181088  D5=-49.71041221  D6=-50.792103  D7=-161.29580114  D8=144.56874892  D9=176.31750299  D10=-66.59111556  D11=174.66053952  D12=-80.64900551  D13=163.52179074  D14=-165.9961598  D15=170.85552824  D16=54.99907392  D17=-171.73792746  D18=72.28771753  D19=-70.69183839  D20=172.42963082  D21=174.26800901  D22=-64.49495025  D23=56.74209048	B1=1.53445733  B2=1.51169564  B3=1.51169564  B4=1.53445733  B5=1.53606415  B6=1.52812698  B7=1.52812698  B8=1.46202058  B9=1.44576174  B10=1.2101427  B11=1.0962852  B12=1.09731227  B13=1.09305286  B14=1.09731227  B15=1.09305286  B16=1.0962852  B17=1.09695061  B18=1.09552485  B19=1.09505634  B20=1.09645769  B21=1.09695061  B22=1.09552485  B23=1.09443252  B24=1.10333363  B25=1.09443252  A1=113.47636951  A2=115.56604076  A3=113.47636951  A4=112.60877298  A5=111.75796336  A6=110.81654766  A7=107.83527789  A8=114.20582562  A9=122.19951794  A10=107.03738655  A11=107.7125244  A12=112.53702978  A13=106.24050052  A14=108.62436402  A15=107.73050561  A16=108.65509651  A17=109.75798877  A18=110.06845762  A19=110.08838654  A20=109.46740333  A21=110.73123402  A22=109.239611  A23=115.27834704  A24=109.239611  D1=-37.75573465  D2=37.75573465  D3=74.33930112  D4=-68.26368719  D5=-49.70060487  D6=-50.93300202  D7=-161.37411118  D8=144.35043106  D9=176.2969401  D10=-66.3764925  D11=174.79558807  D12=-80.40840498  D13=163.72371155  D14=-166.14743703  D15=170.8404634  D16=54.98959283  D17=-171.68787318  D18=72.32529423  D19=-70.72176548  D20=172.40065571  D21=174.30977351  D22=-64.42956858  D23=56.83108932
			PP_eq_cc_zm.html
			Last modified: 30 Nov 2017