Accuracy

acenaphthylene    318 Acenaphthylene

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    #  Species Formula
   308 Butyl cyclohexaneC10H20
   309 Pentyl cyclopentaneC10H20
   310 2,2,5,5-TetramethylhexaneC10H22
   311 3,3,4,4-TetramethylhexaneC10H22
   312 n-DecaneC10H22
   313 PentamethylbenzeneC11H16
   314 1,1,4-TrimethylcycloheptaneC11H22
   315 Hexyl cyclopentaneC11H22
   316 Pentyl cyclohexaneC11H22
   317 UndecaneC11H24
   318 Acenaphthylene C12H8
   319 BiphenyleneC12H8
   320 AcenaphtheneC12H10
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   323 HexamethylbenzeneC12H18
   324 HexylcyclohexaneC12H24
   325 n-DuodecaneC12H26
   326 Tri-isobutylboraneH27BC12
   327 Tri-s-butylboraneH27BC12
   328 TributylboraneH27BC12


ΔHf: 61.6 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
Acenaphthylene
 H=61.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36603917 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42793456 +1  118.2839370 +1    0.0000000 +0     2     1     0
  C     1.37668824 +1  122.9315609 +1   -0.0000738 +1     3     2     1
  C     1.42519082 +1  120.1513938 +1    0.0046778 +1     4     3     2
  C     1.43212618 +1  118.1131801 +1   -0.0063662 +1     1     2     3
  C     1.43222467 +1  110.2536559 +1  179.9948649 +1     6     1     2
  C     1.36600375 +1  118.0772565 +1  179.9960271 +1     7     6     1
  C     1.42782724 +1  118.3108486 +1    0.0061939 +1     8     7     6
  C     1.42515551 +1  128.6837616 +1  179.9882857 +1     5     4     3
  C     1.47534335 +1  136.5806806 +1 -179.9952093 +1     1     2     3
  C     1.47536835 +1  105.3102765 +1   -0.0153284 +1     7     6     1
  H     1.08652206 +1  122.2845403 +1  179.9990908 +1     2     1     6
  H     1.09031023 +1  117.4112282 +1  179.9981724 +1     3     2     1
  H     1.08777461 +1  120.9568682 +1 -179.9960714 +1     4     3     2
  H     1.08657306 +1  122.2735782 +1 -179.9938207 +1     8     7     6
  H     1.09027789 +1  117.4185236 +1 -179.9961538 +1     9     8     7
  H     1.08777640 +1  118.8992699 +1    0.0080541 +1    10     5     4
  H     1.07222954 +1  122.5868055 +1   -0.0029007 +1    11     1     2
  H     1.07220104 +1  122.5750542 +1 -179.9985897 +1    12     7     6