Accuracy

tributylborane    328 Tributylborane

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    #  Species Formula
   318 AcenaphthyleneC12H8
   319 BiphenyleneC12H8
   320 AcenaphtheneC12H10
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 Tributylborane H27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 TridecaneC13H28
   333 AnthraceneC14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10
   336 9,10-Dihydro-phenanthreneC14H12
   337 9-Methyl-9H-fluoreneC14H12
   338 OctaleneC14H12


ΔHf: -68.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tributylborane
 H=-68.6 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52460629 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.59350208 +1  115.3062142 +1    0.0000000 +0     2     1     0
  C     1.59444333 +1  119.9593343 +1  179.6301903 +1     3     2     1
  C     1.52365954 +1  115.3531926 +1   -0.4327925 +1     4     3     2
  C     1.53859157 +1  110.5552575 +1  179.9672959 +1     5     4     3
  H     1.10675201 +1  110.8389966 +1 -121.4548842 +1     5     4     6
  H     1.10689735 +1  110.8226136 +1 -117.1617342 +1     5     4     7
  H     1.10829861 +1  107.1996376 +1 -123.6734115 +1     4     3     5
  H     1.10858887 +1  107.0699940 +1 -112.8475266 +1     4     3     9
  C     1.59429663 +1  120.0421721 +1  179.9127117 +1     3     2     4
  H     1.10832173 +1  110.4409923 +1  122.0046832 +1     2     1     3
  H     1.10850288 +1  110.4508634 +1  116.3159857 +1     2     1    12
  C     1.53846093 +1  110.5396966 +1  179.9316887 +1     1     2     3
  H     1.10668076 +1  110.8301334 +1 -121.4371838 +1     1     2    14
  H     1.10678061 +1  110.8103582 +1 -117.1769311 +1     1     2    15
  C     1.52369348 +1  115.3930469 +1 -179.8844045 +1    11     3     2
  H     1.10833065 +1  107.1435323 +1 -123.6541331 +1    11     3    17
  H     1.10852861 +1  107.1107922 +1 -112.8275248 +1    11     3    18
  C     1.53859276 +1  110.5308954 +1  179.9969816 +1    17    11     3
  H     1.10677984 +1  110.8325046 +1 -121.4318006 +1    17    11    20
  H     1.10691543 +1  110.8340159 +1 -117.1783659 +1    17    11    21
  C     1.52877545 +1  110.8374104 +1  179.8037436 +1     6     5     4
  H     1.10574936 +1  109.9589494 +1 -121.8831766 +1     6     5    23
  H     1.10576477 +1  109.9511813 +1 -116.2664363 +1     6     5    24
  C     1.52877084 +1  110.8447348 +1  179.8467380 +1    14     1     2
  H     1.10574402 +1  109.9680216 +1 -121.8869868 +1    14     1    26
  H     1.10577054 +1  109.9571908 +1 -116.2651353 +1    14     1    27
  C     1.52878758 +1  110.8511521 +1  179.9441694 +1    20    17    11
  H     1.10570907 +1  109.9577049 +1 -121.8925408 +1    20    17    29
  H     1.10574952 +1  109.9529807 +1 -116.2510929 +1    20    17    30
  H     1.09531244 +1  111.2864482 +1  179.9425140 +1    23     6     5
  H     1.09559449 +1  111.4273080 +1 -119.9270403 +1    23     6    32
  H     1.09556904 +1  111.4439396 +1 -120.1120811 +1    23     6    33
  H     1.09530160 +1  111.2840999 +1  179.9392255 +1    26    14     1
  H     1.09561749 +1  111.4288793 +1 -119.9224020 +1    26    14    35
  H     1.09559660 +1  111.4450312 +1 -120.1208196 +1    26    14    36
  H     1.09530934 +1  111.2802396 +1  179.9733080 +1    29    20    17
  H     1.09562984 +1  111.4248521 +1 -119.9191349 +1    29    20    38
  H     1.09560497 +1  111.4427982 +1 -120.1216972 +1    29    20    39