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
C,6,B6,5,A5,4,D4,0
C,7,B7,6,A6,5,D5,0
N,8,B8,7,A7,6,D6,0
F,1,B9,2,A8,3,D7,0
F,1,B10,2,A9,3,D8,0
F,1,B11,2,A10,3,D9,0
F,2,B12,1,A11,3,D10,0
F,2,B13,1,A12,3,D11,0
F,3,B14,2,A13,1,D12,0
F,3,B15,2,A14,1,D13,0
F,4,B16,3,A15,2,D14,0
F,4,B17,3,A16,2,D15,0
F,5,B18,4,A17,3,D16,0
F,5,B19,4,A18,3,D17,0
F,6,B20,5,A19,4,D18,0
F,6,B21,5,A20,4,D19,0
F,7,B22,6,A21,5,D20,0
F,7,B23,6,A22,5,D21,0
Variables:
B1=1.54718779 (1.5459)
B2=1.55066164 (1.5492)
B3=1.5539964 (1.5524)
B4=1.55362014 (1.5520)
B5=1.55016644 (1.5487)
B6=1.55535435 (1.5537)
B7=1.47578161 (1.4776)
B8=1.1533838 (1.1544)
B9=1.32641524 (1.330)
B10=1.32510497 (1.329)
B11=1.32858407 (1.332)
B12=1.33787879 (1.342)
B13=1.34220864 (1.346)
B14=1.34081202 (1.345)
B15=1.3413646 (1.345)
B16=1.34096286 (1.345)
B17=1.33983308 (1.344)
B18=1.33943651 (1.343)
B19=1.3434173 (1.347)
B20=1.34251569 (1.346)
B21=1.33464828 (1.338)
B22=1.34115166 (1.345)
B23=1.34197256 (1.346)
A1=113.83186432
A2=112.89040075
A3=112.78489777
A4=112.99318519
A5=113.59285278
A6=113.18084104
A7=178.68861238
A8=108.69337926
A9=110.6507848
A10=110.27452564
A11=107.85771205
A12=107.7006998
A13=109.08306627
A14=108.2481897
A15=108.46684433
A16=109.14955034
A17=109.29426914
A18=108.65900914
A19=109.77072309
A20=108.96326899
A21=107.06799035
A22=109.07782649
D1=-163.25630159
D2=-162.03092253
D3=-162.37092887
D4=-162.23334514
D5=74.02108125
D6=124.44964766
D7=-169.43420837
D8=71.08040249
D9=-49.98768917
D10=120.65411928
D11=-121.40620912
D12=-42.72691863
D13=75.9713087
D14=77.56647527
D15=-41.553437
D16=-41.69063179
D17=77.38199774
D18=-41.80690049
D19=77.9931076
D20=-166.23327114
D21=-48.70647982
