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,2,B11,1,A10,3,D9,0
F,2,B12,1,A11,3,D10,0
F,3,B13,2,A12,1,D11,0
F,3,B14,2,A13,1,D12,0
F,4,B15,3,A14,2,D13,0
F,4,B16,3,A15,2,D14,0
F,5,B17,4,A16,3,D15,0
F,5,B18,4,A17,3,D16,0
F,6,B19,5,A18,4,D17,0
F,6,B20,5,A19,4,D18,0
F,7,B21,6,A20,5,D19,0
F,7,B22,6,A21,5,D20,0
F,1,B23,2,A22,3,D21,0
Variables:
B1=1.54706071 (1.5458)
B2=1.55069403 (1.5492)
B3=1.55438504 (1.5528)
B4=1.55507178 (1.5534)
B5=1.55338791 (1.5518)
B6=1.55227439 (1.5508)
B7=1.47886124 (1.4805)
B8=1.15345164 (1.1544)
B9=1.32849978 (1.3322)
B10=1.32502697 (1.3287)
B11=1.34212849 (1.3460)
B12=1.33819682 (1.3420)
B13=1.34141098 (1.3453)
B14=1.34064796 (1.3445)
B15=1.34027987 (1.3442)
B16=1.3406444 (1.3445)
B17=1.33994233 (1.3438)
B18=1.34046657 (1.3443)
B19=1.33899931 (1.3428)
B20=1.34039138 (1.3443)
B21=1.33843754 (1.3423)
B22=1.34200201 (1.3459)
B23=1.32644654 (1.3302)
A1=113.87561255
A2=112.89456428
A3=112.72462824
A4=112.59706975
A5=113.68314064
A6=110.09420261
A7=179.46711704
A8=110.26795259
A9=110.67665018
A10=107.68773644
A11=107.82103413
A12=108.20513845
A13=109.09553478
A14=109.18247934
A15=108.36974791
A16=108.50012729
A17=109.20555863
A18=108.70800691
A19=109.83521747
A20=109.67415003
A21=109.1848465
A22=108.67709371
D1=163.37026521
D2=161.78492019
D3=161.77864482
D4=162.57962214
D5=168.76624878
D6=64.91864335
D7=50.19244411
D8=-70.88869498
D9=121.47636087
D10=-120.60981211
D11=-75.78521572
D12=42.87694596
D13=41.41907426
D14=-77.59006883
D15=-77.31959974
D16=41.72010441
D17=-77.56464529
D18=42.17729117
D19=-71.07996515
D20=48.49071267
D21=169.61785913
