Accuracy

biphenylene    319 Biphenylene

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    #  Species Formula
   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 AcenaphthyleneC12H8
   319 Biphenylene C12H8
   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
   329 FluoreneC13H10


ΔHf: 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