Accuracy

tri-n-heptylborane    407 Tri-n-heptylborane

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    #  Species Formula
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentaleneC20H30
   399 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 HexadecylcyclopentaneC21H42
   406 PentadecylcyclohexaneC21H42
   407 Tri-n-heptylborane H45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   411 n-HexadecylcyclohexaneC22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18


ΔHf: -108.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Tri-n-heptylborane
 H=-108.7 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53463655 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53373860 +1  110.8173796 +1    0.0000000 +0     2     1     0
  C     1.53377202 +1  110.6974381 +1 -179.8056457 +1     3     2     1
  C     1.53800157 +1  110.6554901 +1 -179.5672661 +1     4     3     2
  C     1.52428877 +1  110.4142052 +1 -179.7936653 +1     5     4     3
  B     1.59349456 +1  115.3381014 +1 -179.6816627 +1     6     5     4
  C     1.59332928 +1  120.0254351 +1    0.1962539 +1     7     6     5
  C     1.52409281 +1  115.3986120 +1  179.8073575 +1     8     7     6
  C     1.53795159 +1  110.4154352 +1 -179.9057595 +1     9     8     7
  C     1.53377894 +1  110.6397442 +1  179.8774048 +1    10     9     8
  C     1.53376093 +1  110.7133760 +1 -179.9409746 +1    11    10     9
  C     1.53465922 +1  110.7880808 +1  179.8827251 +1    12    11    10
  C     1.59356234 +1  119.9561154 +1 -179.8026887 +1     7     6     5
  C     1.52407063 +1  115.3403736 +1    0.0556295 +1    14     7     6
  C     1.53794825 +1  110.4672121 +1 -179.9359229 +1    15    14     7
  C     1.53378372 +1  110.5950646 +1 -179.9597022 +1    16    15    14
  C     1.53375146 +1  110.7486191 +1 -179.9580443 +1    17    16    15
  C     1.53465805 +1  110.7632882 +1  179.9850018 +1    18    17    16
  C     1.52877740 +1  110.8982980 +1 -179.9967965 +1     1     2     3
  C     1.52882947 +1  110.8861990 +1 -179.9836750 +1    13    12    11
  C     1.52882485 +1  110.9021337 +1 -179.9921823 +1    19    18    17
  H     1.10626949 +1  109.9751907 +1   58.1445026 +1     1     2     3
  H     1.10627418 +1  109.9809064 +1  -58.1218275 +1     1     2     3
  H     1.10572670 +1  109.9303446 +1   58.0973836 +1     2     1    20
  H     1.10571056 +1  109.9475258 +1  -58.0668778 +1     2     1    20
  H     1.10582589 +1  110.0118556 +1   58.3615756 +1     3     2     1
  H     1.10579350 +1  110.0254737 +1  -57.9810193 +1     3     2     1
  H     1.10533976 +1  110.0455378 +1   58.6590981 +1     4     3     2
  H     1.10534578 +1  110.0636960 +1  -57.7923186 +1     4     3     2
  H     1.10678476 +1  109.4003881 +1   58.0439944 +1     5     4     3
  H     1.10674499 +1  109.4239635 +1  -57.6456912 +1     5     4     3
  H     1.10844725 +1  110.4417403 +1   58.5360812 +1     6     5     4
  H     1.10847169 +1  110.4632026 +1  -57.9213103 +1     6     5     4
  H     1.10854554 +1  107.1982810 +1   56.2833221 +1     8     7     6
  H     1.10854084 +1  107.1720815 +1  -56.6792497 +1     8     7     6
  H     1.10680742 +1  110.7592393 +1   58.7358758 +1     9     8     7
  H     1.10682351 +1  110.7623332 +1  -58.5345709 +1     9     8     7
  H     1.10534468 +1  110.0017108 +1   58.0651467 +1    10     9     8
  H     1.10531733 +1  109.9985381 +1  -58.3134096 +1    10     9     8
  H     1.10582577 +1  110.0262702 +1   58.2453176 +1    11    10     9
  H     1.10584090 +1  110.0304203 +1  -58.1134482 +1    11    10     9
  H     1.10569094 +1  110.0909553 +1   58.0465651 +1    12    11    10
  H     1.10567464 +1  110.0840972 +1  -58.2875877 +1    12    11    10
  H     1.10627036 +1  109.9794094 +1   58.1621310 +1    13    12    11
  H     1.10627676 +1  109.9851656 +1  -58.1148765 +1    13    12    11
  H     1.10854246 +1  107.2071528 +1 -123.4579749 +1    14     7     6
  H     1.10852090 +1  107.1956829 +1  123.5506213 +1    14     7     6
  H     1.10682183 +1  110.7447490 +1   58.6969497 +1    15    14     7
  H     1.10681372 +1  110.7580090 +1  -58.5508352 +1    15    14     7
  H     1.10534717 +1  110.0124667 +1   58.2357943 +1    16    15    14
  H     1.10532729 +1  110.0077044 +1  -58.1680430 +1    16    15    14
  H     1.10582108 +1  110.0171391 +1   58.2208347 +1    17    16    15
  H     1.10581758 +1  110.0277211 +1  -58.1173598 +1    17    16    15
  H     1.10571403 +1  110.0950790 +1   58.1560775 +1    18    17    16
  H     1.10569660 +1  110.0886405 +1  -58.1959241 +1    18    17    16
  H     1.10624524 +1  109.9770130 +1   58.1488509 +1    19    18    17
  H     1.10624297 +1  109.9860569 +1  -58.1142217 +1    19    18    17
  H     1.09548411 +1  111.2388203 +1  179.8990611 +1    20     1     2
  H     1.09564016 +1  111.4419201 +1   59.9400851 +1    20     1     2
  H     1.09562926 +1  111.4318966 +1  -60.1522613 +1    20     1     2
  H     1.09548418 +1  111.2453262 +1  179.8878658 +1    21    13    12
  H     1.09563158 +1  111.4357172 +1   59.9247955 +1    21    13    12
  H     1.09561995 +1  111.4261388 +1  -60.1573566 +1    21    13    12
  H     1.09547513 +1  111.2387107 +1  179.9166183 +1    22    19    18
  H     1.09566945 +1  111.4347660 +1   59.9583043 +1    22    19    18
  H     1.09565551 +1  111.4259711 +1  -60.1349968 +1    22    19    18