PM7 Accuracy

Hexacyclopropylethane    401 Hexacyclopropylethane

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    #  Species Formula
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 Hexacyclopropylethane C20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38


DHf: 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