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
N,7,B7,6,A6,5,D5,0
F,1,B8,2,A7,3,D6,0
F,1,B9,2,A8,3,D7,0
F,2,B10,1,A9,3,D8,0
F,2,B11,1,A10,3,D9,0
F,3,B12,2,A11,1,D10,0
F,3,B13,2,A12,1,D11,0
F,4,B14,3,A13,2,D12,0
F,4,B15,3,A14,2,D13,0
F,5,B16,4,A15,3,D14,0
F,5,B17,4,A16,3,D15,0
F,6,B18,5,A17,4,D16,0
F,6,B19,5,A18,4,D17,0
F,1,B20,2,A19,3,D18,0
Variables:
B1=1.54726285 (1.5460)
B2=1.55061119 (1.5492)
B3=1.55410458 (1.5525)
B4=1.55335956 (1.5518)
B5=1.55226165 (1.5508)
B6=1.47884063 (1.4805)
B7=1.15345131 (1.1544)
B8=1.32854088 (1.3323)
B9=1.32501155 (1.3287)
B10=1.34209917 (1.3460)
B11=1.33807444 (1.3419)
B12=1.34079649 (1.3447)
B13=1.3412806 (1.3452)
B14=1.34019245 (1.3441)
B15=1.34027638 (1.3441)
B16=1.33901261 (1.3429)
B17=1.34034067 (1.3442)
B18=1.33846667 (1.3423)
B19=1.34208302 (1.3460)
B20=1.32632195 (1.3300)
A1=113.81459325
A2=112.92015918
A3=112.62935064
A4=113.65735548
A5=110.12595954
A6=179.45673991
A7=110.29530884
A8=110.60939082
A9=107.7020896
A10=107.89067227
A11=109.13487375
A12=108.23839207
A13=108.4431956
A14=109.20371215
A15=108.69160408
A16=109.86270832
A17=109.63253972
A18=109.18774213
A19=108.70111899
D1=163.19303955
D2=161.85990167
D3=162.22268627
D4=168.45638657
D5=65.95159913
D6=49.63769799
D7=-71.41287166
D8=121.44244923
D9=-120.61274925
D10=42.73023381
D11=-76.00236561
D12=-77.2304286
D13=41.73880725
D14=-77.87502914
D15=41.8302623
D16=-71.4010796
D17=48.15796589
D18=169.11204802
