Empirically corrected bond lengths are given in Parentheses
H
C,1,B1
C,2,B2,1,A1
C,2,B3,1,A2,3,D1,0
C,2,B4,1,A3,4,D2,0
Br,3,B5,2,A4,1,D3,0
H,3,B6,2,A5,1,D4,0
H,3,B7,2,A6,1,D5,0
H,4,B8,2,A7,1,D6,0
H,4,B9,2,A8,1,D7,0
H,4,B10,2,A9,1,D8,0
H,5,B11,2,A10,1,D9,0
H,5,B12,2,A11,1,D10,0
H,5,B13,2,A12,1,D11,0
Variables:
B1=1.09548229 (1.094)
B2=1.51780568 (1.5161)
B3=1.53019286 (1.5247)
B4=1.52465781 (1.5197)
B5=1.95596514 (1.9455)
B6=1.08900547 (1.088)
B7=1.09086148 (1.090)
B8=1.09229447 (1.091)
B9=1.09278038 (1.091)
B10=1.09435041 (1.092)
B11=1.09086477 (1.089)
B12=1.09238663 (1.091)
B13=1.09479469 (1.093)
A1=108.04304214
A2=108.75381324
A3=109.04588284
A4=113.2213657
A5=111.50711695
A6=111.22210688
A7=110.5210213
A8=111.62611109
A9=110.54302958
A10=111.65478506
A11=110.53060474
A12=110.23524493
D1=117.01666132
D2=120.82604304
D3=-55.31982779
D4=63.25389345
D5=-174.53583126
D6=61.81467701
D7=-58.51279992
D8=-178.94135263
D9=58.89267934
D10=-61.63882205
D11=179.160001
