PM7 Accuracy

biphenylene    321 Biphenylene

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    #  Species Formula
   311 Pentyl cyclopentaneC10H20
   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 Biphenylene C12H8
   322 AcenaphtheneC12H10
   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


DHf: 100.5 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
Biphenylene
 H=100.48 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.42691879  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.37782185  1  122.1938276  1    0.0000000  0     2     1     0
  C     1.42705353  1  122.1755566  1    0.0090873  1     3     2     1
  C     1.35454522  1  115.7721861  1   -0.0031707  1     4     3     2
  C     1.35440382  1  115.7653799  1   -0.0059494  1     1     2     3
  C     1.48315478  1  147.9452986  1 -179.9922200  1     6     1     2
  C     1.35452235  1  147.9278098  1   -0.0056983  1     7     6     1
  C     1.42714774  1  115.7303370  1  179.9918127  1     8     7     6
  C     1.37786371  1  122.2193626  1    0.0013085  1     9     8     7
  C     1.42696818  1  122.1640759  1    0.0120426  1    10     9     8
  C     1.48317479  1  147.9453997  1  179.9980056  1     5     4     3
  H     1.08422943  1  120.4970984  1  179.9949569  1     1     2     3
  H     1.08907939  1  117.7597554  1  179.9980842  1     2     1     6
  H     1.08905739  1  120.0290737  1 -179.9940129  1     3     2     1
  H     1.08426892  1  120.5001640  1  179.9975619  1     4     3     2
  H     1.08417364  1  123.8103424  1    0.0023393  1     8     7     6
  H     1.08908737  1  117.7521616  1  179.9998078  1     9     8     7
  H     1.08904737  1  120.0327831  1 -179.9941567  1    10     9     8
  H     1.08430464  1  120.4872014  1 -179.9978833  1    11    10     9