g-Isobutyl Bromide MP2/6-311+G(2d,p) opt structure
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



 


 


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  Last modified: 5 May 2013