Accuracy

eicosane    403 Eicosane

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    #  Species Formula
   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 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 Eicosane C20H42
   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
   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


ΔHf: -108.9 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
Eicosane
 H=-108.93 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52869221 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53457413 +1  111.0593793 +1    0.0000000 +0     2     1     0
  C     1.53387006 +1  110.6192488 +1 -179.4230523 +1     3     2     1
  C     1.53401243 +1  110.8526485 +1 -179.3725474 +1     4     3     2
  C     1.53401843 +1  110.5434292 +1 -179.3786956 +1     5     4     3
  C     1.53398198 +1  110.8339916 +1 -179.3693579 +1     6     5     4
  C     1.53396292 +1  110.5545003 +1 -179.4123115 +1     7     6     5
  C     1.53397754 +1  110.8277843 +1 -179.3887628 +1     8     7     6
  C     1.53397005 +1  110.5684787 +1 -179.4585485 +1     9     8     7
  C     1.53397087 +1  110.8135434 +1 -179.4220155 +1    10     9     8
  C     1.53397356 +1  110.5837273 +1 -179.5165939 +1    11    10     9
  C     1.53397138 +1  110.7965757 +1 -179.4728167 +1    12    11    10
  C     1.53396553 +1  110.6011476 +1 -179.5835725 +1    13    12    11
  C     1.53397118 +1  110.7773754 +1 -179.5402250 +1    14    13    12
  C     1.53403056 +1  110.6154431 +1 -179.6592574 +1    15    14    13
  C     1.53398720 +1  110.7541147 +1 -179.6249646 +1    16    15    14
  C     1.53387892 +1  110.6488084 +1 -179.7411768 +1    17    16    15
  C     1.53458587 +1  110.8140064 +1 -179.7219387 +1    18    17    16
  C     1.52882553 +1  110.8737355 +1 -179.8464137 +1    19    18    17
  H     1.09544292 +1  111.2381439 +1 -179.8936065 +1     1     2     3
  H     1.09564831 +1  111.4316472 +1   60.1586647 +1     1     2     3
  H     1.09565694 +1  111.4389480 +1  -59.9293799 +1     1     2     3
  H     1.10643188 +1  109.9093493 +1   58.2069119 +1     2     1    21
  H     1.10639414 +1  109.9410813 +1  -57.9656851 +1     2     1    21
  H     1.10566208 +1  109.9895380 +1   58.6957127 +1     3     2     1
  H     1.10562390 +1  110.0050108 +1  -57.5652211 +1     3     2     1
  H     1.10596654 +1  109.9683402 +1   58.7757705 +1     4     3     2
  H     1.10596062 +1  110.0030390 +1  -57.5222993 +1     4     3     2
  H     1.10578512 +1  110.0437581 +1   58.8126297 +1     5     4     3
  H     1.10573436 +1  110.0612942 +1  -57.5858559 +1     5     4     3
  H     1.10597718 +1  109.9683349 +1   58.7787482 +1     6     5     4
  H     1.10597602 +1  109.9998892 +1  -57.5216807 +1     6     5     4
  H     1.10579789 +1  110.0514951 +1   58.7843641 +1     7     6     5
  H     1.10574737 +1  110.0684542 +1  -57.6200546 +1     7     6     5
  H     1.10596869 +1  109.9766974 +1   58.7595863 +1     8     7     6
  H     1.10597322 +1  110.0061428 +1  -57.5429776 +1     8     7     6
  H     1.10580555 +1  110.0491715 +1   58.7383647 +1     9     8     7
  H     1.10575347 +1  110.0650872 +1  -57.6629588 +1     9     8     7
  H     1.10595842 +1  109.9812349 +1   58.7272989 +1    10     9     8
  H     1.10596717 +1  110.0078835 +1  -57.5792899 +1    10     9     8
  H     1.10581426 +1  110.0461440 +1   58.6786993 +1    11    10     9
  H     1.10576480 +1  110.0603861 +1  -57.7168888 +1    11    10     9
  H     1.10594577 +1  109.9866559 +1   58.6800631 +1    12    11    10
  H     1.10595477 +1  110.0104584 +1  -57.6327967 +1    12    11    10
  H     1.10582412 +1  110.0425641 +1   58.6091729 +1    13    12    11
  H     1.10577921 +1  110.0540781 +1  -57.7793059 +1    13    12    11
  H     1.10593304 +1  109.9948841 +1   58.6165735 +1    14    13    12
  H     1.10594621 +1  110.0143616 +1  -57.7032262 +1    14    13    12
  H     1.10583454 +1  110.0438569 +1   58.5365948 +1    15    14    13
  H     1.10579274 +1  110.0522845 +1  -57.8579980 +1    15    14    13
  H     1.10591095 +1  110.0117221 +1   58.5447202 +1    16    15    14
  H     1.10592527 +1  110.0272568 +1  -57.7955439 +1    16    15    14
  H     1.10582897 +1  110.0317596 +1   58.4425191 +1    17    16    15
  H     1.10579781 +1  110.0364683 +1  -57.9306825 +1    17    16    15
  H     1.10577372 +1  110.0636359 +1   58.4469936 +1    18    17    16
  H     1.10578598 +1  110.0750095 +1  -57.8810693 +1    18    17    16
  H     1.10627784 +1  109.9950534 +1   58.2869476 +1    19    18    17
  H     1.10626438 +1  109.9916943 +1  -57.9895454 +1    19    18    17
  H     1.09546977 +1  111.2594458 +1 -179.8198590 +1    20    19    18
  H     1.09564852 +1  111.4246134 +1   60.2244927 +1    20    19    18
  H     1.09566191 +1  111.4314342 +1  -59.8573101 +1    20    19    18