Accuracy

nonadecane    393 Nonadecane

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    #  Species Formula
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-TridecylcyclohexaneC19H38
   393 Nonadecane C19H40
   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
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42


ΔHf: -104.0 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
Nonadecane
 H=-104.00 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52878701 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53455751 +1  110.9081272 +1    0.0000000 +0     2     1     0
  C     1.53387562 +1  110.7626883 +1  179.9570773 +1     3     2     1
  C     1.53398454 +1  110.7105834 +1 -179.9706388 +1     4     3     2
  C     1.53401569 +1  110.6789775 +1  179.9307056 +1     5     4     3
  C     1.53396376 +1  110.6999580 +1 -179.9852825 +1     6     5     4
  C     1.53395368 +1  110.6819613 +1  179.9271699 +1     7     6     5
  C     1.53396644 +1  110.7032934 +1 -179.9862200 +1     8     7     6
  C     1.53395740 +1  110.6847367 +1  179.9294339 +1     9     8     7
  C     1.53396231 +1  110.7017695 +1 -179.9880736 +1    10     9     8
  C     1.53395943 +1  110.6867307 +1  179.9314328 +1    11    10     9
  C     1.53396097 +1  110.6993900 +1 -179.9948564 +1    12    11    10
  C     1.53395947 +1  110.6869354 +1  179.9345141 +1    13    12    11
  C     1.53402116 +1  110.6934512 +1  179.9985020 +1    14    13    12
  C     1.53398225 +1  110.6865425 +1  179.9376890 +1    15    14    13
  C     1.53387401 +1  110.7017926 +1  179.9917423 +1    16    15    14
  C     1.53458434 +1  110.7723706 +1  179.9368752 +1    17    16    15
  C     1.52881543 +1  110.8971752 +1  179.9869499 +1    18    17    16
  H     1.09544227 +1  111.2474235 +1 -179.9668186 +1     1     2     3
  H     1.09564058 +1  111.4301778 +1   60.0867192 +1     1     2     3
  H     1.09565082 +1  111.4398546 +1  -60.0085699 +1     1     2     3
  H     1.10630193 +1  109.9603605 +1   58.1536325 +1     2     1    20
  H     1.10630667 +1  109.9696335 +1  -58.0784291 +1     2     1    20
  H     1.10580749 +1  109.9496933 +1   58.0703728 +1     3     2     1
  H     1.10571492 +1  109.9729019 +1  -58.1307835 +1     3     2     1
  H     1.10588248 +1  110.0120841 +1   58.2171515 +1     4     3     2
  H     1.10586675 +1  110.0315063 +1  -58.1291538 +1     4     3     2
  H     1.10591991 +1  110.0095193 +1   58.1139689 +1     5     4     3
  H     1.10583687 +1  110.0285617 +1  -58.2285992 +1     5     4     3
  H     1.10589747 +1  110.0096499 +1   58.2021464 +1     6     5     4
  H     1.10588677 +1  110.0271161 +1  -58.1431876 +1     6     5     4
  H     1.10592415 +1  110.0195017 +1   58.1154347 +1     7     6     5
  H     1.10584602 +1  110.0368851 +1  -58.2365025 +1     7     6     5
  H     1.10589599 +1  110.0162460 +1   58.2003206 +1     8     7     6
  H     1.10589041 +1  110.0316496 +1  -58.1438700 +1     8     7     6
  H     1.10591918 +1  110.0204042 +1   58.1180202 +1     9     8     7
  H     1.10584951 +1  110.0351059 +1  -58.2346141 +1     9     8     7
  H     1.10589287 +1  110.0168306 +1   58.1980005 +1    10     9     8
  H     1.10589090 +1  110.0301585 +1  -58.1453891 +1    10     9     8
  H     1.10591544 +1  110.0219651 +1   58.1184010 +1    11    10     9
  H     1.10585810 +1  110.0324409 +1  -58.2339721 +1    11    10     9
  H     1.10588994 +1  110.0179544 +1   58.1914122 +1    12    11    10
  H     1.10589041 +1  110.0294853 +1  -58.1521977 +1    12    11    10
  H     1.10591005 +1  110.0253537 +1   58.1185203 +1    13    12    11
  H     1.10586824 +1  110.0303930 +1  -58.2334913 +1    13    12    11
  H     1.10588389 +1  110.0238118 +1   58.1900853 +1    14    13    12
  H     1.10588856 +1  110.0332528 +1  -58.1666998 +1    14    13    12
  H     1.10589843 +1  110.0369640 +1   58.1245400 +1    15    14    13
  H     1.10586993 +1  110.0375059 +1  -58.2405639 +1    15    14    13
  H     1.10586264 +1  110.0178895 +1   58.1743282 +1    16    15    14
  H     1.10587321 +1  110.0236798 +1  -58.1694756 +1    16    15    14
  H     1.10577685 +1  110.0830186 +1   58.1075547 +1    17    16    15
  H     1.10576295 +1  110.0780645 +1  -58.2346490 +1    17    16    15
  H     1.10628994 +1  109.9870681 +1   58.1251282 +1    18    17    16
  H     1.10629906 +1  109.9916638 +1  -58.1356710 +1    18    17    16
  H     1.09545475 +1  111.2549494 +1  179.9311687 +1    19    18    17
  H     1.09565739 +1  111.4340380 +1   59.9708778 +1    19    18    17
  H     1.09564785 +1  111.4246049 +1  -60.1185259 +1    19    18    17