PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

acenaphthene    322 Acenaphthene

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    #  Species Formula
   312 2,2,5,5-TetramethylhexaneC10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8
   322 Acenaphthene C12H10
   323 BiphenylC12H10
   324 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   325 HexamethylbenzeneC12H18
   326 HexylcyclohexaneC12H24
   327 n-DuodecaneC12H26
   328 Tri-isobutylboraneH27BC12
   329 Tri-s-butylboraneH27BC12
   330 TributylboraneH27BC12
   331 FluoreneC13H10
   332 o-Methyl bipheny (Torsion angle) (Geo)C13H12


ΔHf: 37.4 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
Acenaphthene
 H=37.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36601795 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42543541 +1  118.3561901 +1    0.0000000 +0     2     1     0
  C     1.37554891 +1  122.5543471 +1    0.0100688 +1     3     2     1
  C     1.42367305 +1  120.1260537 +1   -0.0019007 +1     4     3     2
  C     1.42184166 +1  118.9794486 +1   -0.0095791 +1     1     2     3
  C     1.42193423 +1  112.5853881 +1 -179.9989599 +1     6     1     2
  C     1.36601456 +1  118.9537400 +1  179.9932578 +1     7     6     1
  C     1.42537251 +1  118.3781810 +1    0.0047468 +1     8     7     6
  C     1.42363909 +1  127.4370917 +1  179.9950584 +1     5     4     3
  C     1.50216995 +1  132.6792739 +1  179.9709363 +1     1     2     3
  C     1.50218840 +1  108.3382926 +1   -0.0170658 +1     7     6     1
  H     1.08465960 +1  122.2304799 +1  179.9963343 +1     2     1     6
  H     1.09028644 +1  117.6026292 +1 -179.9916977 +1     3     2     1
  H     1.08683483 +1  121.0342478 +1  179.9990986 +1     4     3     2
  H     1.08469359 +1  122.2251271 +1 -179.9969017 +1     8     7     6
  H     1.09027670 +1  117.6101294 +1  179.9999307 +1     9     8     7
  H     1.08683950 +1  118.8494892 +1   -0.0030287 +1    10     5     4
  H     1.10320378 +1  111.4745366 +1   59.5923852 +1    11     1     2
  H     1.10319840 +1  111.4623217 +1  -59.5885713 +1    11     1     2
  H     1.10319537 +1  111.4570610 +1 -120.3878172 +1    12     7     6
  H     1.10318264 +1  111.4723013 +1  120.4344074 +1    12     7     6