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=1.54716412 (1.5459)
B2=1.55045083 (1.5490)
B3=1.55291017 (1.5514)
B4=1.55006382 (1.5486)
B5=1.55523073 (1.5536)
B6=1.47583811 (1.4776)
B7=1.15340237 (1.1544)
B8=1.3247562 (1.3284)
B9=1.32867816 (1.3324)
B10=1.33811646 (1.3420)
B11=1.3420648 (1.3460)
B12=1.34151106 (1.3454)
B13=1.34030286 (1.3442)
B14=1.33931807 (1.3432)
B15=1.34359084 (1.3475)
B16=1.34257316 (1.3465)
B17=1.33464695 (1.3384)
B18=1.34115726 (1.3450)
B19=1.34195834 (1.3458)
B20=1.32634892 (1.3300)
A1=113.82800888
A2=112.91968764
A3=113.03157061
A4=113.59057632
A5=113.18194206
A6=178.67237126
A7=110.63514187
A8=110.23949941
A9=107.88381321
A10=107.75804857
A11=108.32366365
A12=109.15635023
A13=109.29859699
A14=108.57864691
A15=109.76637178
A16=108.94987331
A17=107.08700794
A18=109.06114834
A19=108.69282491
D1=-163.30029038
D2=-162.30228446
D3=-162.13353318
D4=74.01404843
D5=124.63884274
D6=71.50843086
D7=-49.53955685
D8=120.64063692
D9=-121.3735347
D10=76.10793722
D11=-42.72903606
D12=-41.53731716
D13=77.46019293
D14=-41.69681244
D15=78.08016706
D16=-166.23383822
D17=-48.70142614
D18=-168.97006507
