# B3PW91/6-311+G(df,pd) prop scf=tight 1-cyano-3-fluoro-but-1-ene,  Lille                   MP2/6-311+G(d,p) popt for angles    0  1  C  C,1,R1  C,2,R2,1,A1  C,3,R3,2,A2,1,D1,0  C,4,R4,3,A3,2,D2,0  N,5,R5,4,A4,3,D3,0  F,2,R6,3,A5,4,D4,0  H,4,R7,3,A6,2,D5,0  H,3,R8,2,A7,1,D6,0  H,2,R9,3,A8,4,D7,0  H,1,R10,2,A9,7,D8,0  H,1,R11,2,A10,7,D9,0  H,1,R12,2,A11,7,D10,0       Variables:  R1=1.5116  R2=1.4912  R3=1.3364  R4=1.4293  R5=1.1578  R6=1.3871  R7=1.0818  R8=1.0854  R9=1.0955  R10=1.0888  R11=1.0891  R12=1.09  A1=112.1843787  A2=123.56721672  A3=121.62108072  A4=179.28025234  A5=109.87187012  A6=120.89878506  A7=116.1591419  A8=109.08390498  A9=109.97007615  A10=109.7955759  A11=110.23198712  D1=118.46478748  D2=-179.10717604  D3=179.046597  D4=-2.58817594  D5=0.9065196  D6=-61.00287693  D7=-119.13306005  D8=-58.24626857  D9=61.89056914  D10=-178.1907681
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		Last modified: 28 Nov 2005