Accuracy

Hexacyclopropylethane    399 Hexacyclopropylethane

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    #  Species Formula
   389 Tri-n-hexylboraneH39BC18
   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 Hexacyclopropylethane C20H30
   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-heptylboraneH45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38


ΔHf: 111.5 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Hexacyclopropylethane
 H=111.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.60789649 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52883133 +1  107.7065538 +1    0.0000000 +0     1     2     0
  C     1.53977295 +1  107.0494538 +1  116.1010012 +1     1     2     3
  C     1.52184892 +1  110.8698193 +1  114.2762739 +1     1     2     4
  C     1.54415673 +1  106.4884394 +1  -66.0869179 +1     2     1     3
  C     1.52743634 +1  118.0353854 +1 -120.7171199 +1     2     1     6
  C     1.53016546 +1  109.4139419 +1 -125.8618161 +1     2     1     7
  C     1.51678171 +1  125.8299356 +1 -173.8176621 +1     3     1     2
  C     1.50692410 +1   60.1341748 +1  116.2252703 +1     9     3     1
  C     1.51556980 +1  124.4331813 +1 -115.3717979 +1     4     1     2
  C     1.50773299 +1   60.1291234 +1 -109.5117969 +1    11     4     1
  C     1.51785862 +1  127.2528152 +1  147.4573236 +1     5     1     2
  C     1.50575943 +1   60.1083004 +1 -114.0717671 +1    13     5     1
  C     1.51581241 +1  123.0473843 +1 -176.9872181 +1     6     2     1
  C     1.50808625 +1   60.1482631 +1  112.5443505 +1    15     6     2
  C     1.51525406 +1  128.5086002 +1  -52.6796862 +1     7     2     1
  C     1.50696227 +1   60.1888307 +1  116.1641098 +1    17     7     2
  C     1.51400752 +1  124.2055097 +1   90.5629158 +1     8     2     1
  C     1.50698063 +1   60.3551117 +1  110.9594606 +1    19     8     2
  H     1.10939519 +1  109.1840891 +1 -139.9156348 +1     3     1     9
  H     1.09998027 +1  111.0521791 +1  144.5716241 +1     4     1    11
  H     1.10711970 +1  108.8530372 +1  140.3089736 +1     5     1    13
  H     1.10127119 +1  111.2714979 +1 -142.7998652 +1     6     2    15
  H     1.11040375 +1  107.7945401 +1 -140.2206960 +1     7     2    17
  H     1.10056994 +1  111.0287565 +1 -145.3924651 +1     8     2    19
  H     1.08532428 +1  120.5038777 +1 -110.0842675 +1     9     3    10
  H     1.08647569 +1  119.0721961 +1 -140.4990635 +1     9     3    27
  H     1.08688865 +1  119.5896939 +1  108.4738340 +1    10     9     3
  H     1.08479516 +1  120.1800831 +1  140.7346099 +1    10     9    29
  H     1.08615298 +1  118.7031686 +1 -109.7894312 +1    11     4    12
  H     1.08462574 +1  120.9930630 +1 -141.4050302 +1    11     4    31
  H     1.08618443 +1  119.6653471 +1  108.9318508 +1    12    11     4
  H     1.08477190 +1  119.9645057 +1  142.0084502 +1    12    11    33
  H     1.08700240 +1  118.2842341 +1 -109.7951409 +1    13     5    14
  H     1.08306728 +1  122.0478476 +1 -141.4379553 +1    13     5    35
  H     1.08601029 +1  119.6507676 +1 -109.4945184 +1    14    13     5
  H     1.08681224 +1  119.9981326 +1 -141.1819097 +1    14    13    37
  H     1.08496090 +1  120.3482736 +1 -109.6680230 +1    15     6    16
  H     1.08586292 +1  119.0681278 +1 -140.5921844 +1    15     6    39
  H     1.08605755 +1  119.7718523 +1  108.4730278 +1    16    15     6
  H     1.08570772 +1  120.0108813 +1  141.5091354 +1    16    15    41
  H     1.08408051 +1  121.4296262 +1 -109.4840559 +1    17     7    18
  H     1.08718171 +1  118.5872200 +1 -140.9031687 +1    17     7    43
  H     1.08597345 +1  119.8372513 +1 -111.1689892 +1    18    17     7
  H     1.08661633 +1  119.6846932 +1 -140.4010486 +1    18    17    45
  H     1.08561382 +1  119.2333992 +1  109.7002099 +1    19     8    20
  H     1.08587795 +1  120.0537437 +1  141.4199262 +1    19     8    47
  H     1.08562304 +1  119.8471534 +1  108.2477859 +1    20    19     8
  H     1.08409754 +1  119.5485526 +1  141.2195789 +1    20    19    49