optimized structure. Approximate re bond lengths are given
in parentheses.
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
N,6,B6,5,A5,4,D4,0
F,1,B7,2,A6,3,D5,0
F,1,B8,2,A7,3,D6,0
F,2,B9,1,A8,3,D7,0
F,2,B10,1,A9,3,D8,0
F,3,B11,2,A10,1,D9,0
F,3,B12,2,A11,1,D10,0
F,4,B13,3,A12,2,D11,0
F,4,B14,3,A13,2,D12,0
F,5,B15,4,A14,3,D13,0
F,5,B16,4,A15,3,D14,0
F,1,B17,2,A16,3,D15,0
Variables:
B1=1.54691146 (1.5456)
B2=1.54926765 (1.5479)
B3=1.54951936 (1.5481)
B4=1.55492173 (1.5533)
B5=1.47581002 (1.4776)
B6=1.15340235 (1.1544)
B7=1.32503132 (1.3287)
B8=1.32838767 (1.3321)
B9=1.34230215 (1.3462)
B10=1.3376874 (1.3415)
B11=1.33959508 (1.3434)
B12=1.34416788 (1.3481)
B13=1.3424575 (1.3464)
B14=1.33471851 (1.3385)
B15=1.34116572 (1.3450)
B16=1.34198731 (1.3459)
B17=1.32605305 (1.3298)
A1=113.97449902
A2=113.13054191
A3=113.6527769
A4=113.15471561
A5=178.69875714
A6=110.64479777
A7=110.19593276
A8=107.80926334
A9=107.89821398
A10=109.32555405
A11=108.46058157
A12=109.78800141
A13=108.86946783
A14=107.07543326
A15=109.08953683
A16=108.67649525
D1=-163.89033608
D2=-162.00444195
D3=73.9325137
D4=124.94682719
D5=70.87363429
D6=-50.14456783
D7=-121.22709653
D8=120.68138001
D9=-43.06961011
D10=75.66341519
D11=-41.49979456
D12=78.19510191
D13=-166.30694829
D14=-48.76942564
D15=-169.6038348
