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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gCH32CHCH2Br_zm.html | |||
Last modified: 5 May 2013 | |||