PM7 Accuracy

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


DHf: 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