Accuracy

tri-n-hexylborane    389 Tri-n-hexylborane

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    #  Species Formula
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylborane H39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentaleneC20H30
   399 HexacyclopropylethaneC20H30


ΔHf: -94.4 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tri-n-hexylborane
 H=-94.4 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52894933 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53445887 +1  110.9195046 +1    0.0000000 +0     2     1     0
  C     1.53367237 +1  110.7816529 +1  179.9865790 +1     3     2     1
  C     1.53807976 +1  110.6469514 +1  179.9868259 +1     4     3     2
  C     1.52437151 +1  110.4142650 +1  179.9847645 +1     5     4     3
  B     1.59340003 +1  115.3197661 +1 -179.9770646 +1     6     5     4
  C     1.59327047 +1  120.0375308 +1   -0.0791901 +1     7     6     5
  C     1.52409324 +1  115.4182303 +1 -179.9860112 +1     8     7     6
  C     1.53794856 +1  110.4181676 +1 -179.9535552 +1     9     8     7
  C     1.53366995 +1  110.6350681 +1 -179.9740454 +1    10     9     8
  C     1.53454498 +1  110.7891125 +1 -179.9314321 +1    11    10     9
  C     1.52887840 +1  110.8991685 +1 -179.9745708 +1    12    11    10
  C     1.59346165 +1  119.9611398 +1  179.9652486 +1     7     6     5
  C     1.52406977 +1  115.3688909 +1   -0.0270661 +1    14     7     6
  C     1.53795231 +1  110.4559427 +1 -179.9596501 +1    15    14     7
  C     1.53366628 +1  110.6048597 +1 -179.9951519 +1    16    15    14
  C     1.53454040 +1  110.8111513 +1 -179.9324779 +1    17    16    15
  C     1.52886413 +1  110.8870684 +1 -179.9879694 +1    18    17    16
  H     1.09545588 +1  111.2306641 +1 -179.9416960 +1     1     2     3
  H     1.09559615 +1  111.4228698 +1   60.1176578 +1     1     2     3
  H     1.09560827 +1  111.4317162 +1  -59.9829234 +1     1     2     3
  H     1.10621908 +1  109.9486856 +1   58.1789761 +1     2     1    20
  H     1.10623278 +1  109.9551655 +1  -58.0441422 +1     2     1    20
  H     1.10569941 +1  109.9526379 +1   58.0614533 +1     3     2     1
  H     1.10571974 +1  109.9356483 +1  -58.1241525 +1     3     2     1
  H     1.10525669 +1  110.0640056 +1   58.2186036 +1     4     3     2
  H     1.10533908 +1  110.0624173 +1  -58.2640796 +1     4     3     2
  H     1.10672038 +1  109.4023081 +1   57.8065862 +1     5     4     3
  H     1.10675450 +1  109.3866686 +1  -57.8724523 +1     5     4     3
  H     1.10841060 +1  110.4430216 +1   58.2262431 +1     6     5     4
  H     1.10850230 +1  110.4424584 +1  -58.2379374 +1     6     5     4
  H     1.10858326 +1  107.1851175 +1   56.4816733 +1     8     7     6
  H     1.10857261 +1  107.1660306 +1  -56.4641034 +1     8     7     6
  H     1.10679376 +1  110.7600378 +1   58.6919467 +1     9     8     7
  H     1.10682054 +1  110.7672912 +1  -58.5830221 +1     9     8     7
  H     1.10531023 +1  109.9863869 +1   58.2084128 +1    10     9     8
  H     1.10529696 +1  109.9815694 +1  -58.1636460 +1    10     9     8
  H     1.10571016 +1  110.0815318 +1   58.2556916 +1    11    10     9
  H     1.10572463 +1  110.0887956 +1  -58.1047563 +1    11    10     9
  H     1.10620272 +1  109.9928254 +1   58.1495328 +1    12    11    10
  H     1.10619271 +1  109.9866427 +1  -58.1114429 +1    12    11    10
  H     1.09548231 +1  111.2353172 +1 -179.9114991 +1    13    12    11
  H     1.09562851 +1  111.4220378 +1   60.1429016 +1    13    12    11
  H     1.09564270 +1  111.4306784 +1  -59.9574070 +1    13    12    11
  H     1.10855509 +1  107.1994323 +1 -123.5674794 +1    14     7     6
  H     1.10859075 +1  107.1747439 +1  123.4599497 +1    14     7     6
  H     1.10678196 +1  110.7528391 +1   58.6715780 +1    15    14     7
  H     1.10681412 +1  110.7615322 +1  -58.5824544 +1    15    14     7
  H     1.10531211 +1  109.9939772 +1   58.1833532 +1    16    15    14
  H     1.10532688 +1  109.9840047 +1  -58.2082693 +1    16    15    14
  H     1.10568192 +1  110.0786336 +1   58.2442545 +1    17    16    15
  H     1.10570839 +1  110.0870321 +1  -58.1002754 +1    17    16    15
  H     1.10622935 +1  109.9947385 +1   58.1363626 +1    18    17    16
  H     1.10623546 +1  109.9858346 +1  -58.1358143 +1    18    17    16
  H     1.09548606 +1  111.2428475 +1 -179.9039732 +1    19    18    17
  H     1.09559254 +1  111.4229737 +1   60.1467288 +1    19    18    17
  H     1.09560622 +1  111.4336882 +1  -59.9442056 +1    19    18    17