Accuracy

9,10-dihydro-9,10(1',2')benzanthracene    394 9,10-Dihydro-9,10[1',2']benzanthracene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthracene C20H14
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentaleneC20H30
   399 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26


ΔHf: 76.9 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
9,10-Dihydro-9,10[1',2']benzanthracene
 H=76.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51735422 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51719059 +1  105.0965128 +1    0.0000000 +0     1     2     0
  C     1.51713567 +1  105.1210959 +1  110.6520777 +1     1     2     3
  C     1.41197229 +1  113.5246022 +1  -55.3624278 +1     2     1     3
  C     1.38201794 +1  125.8459112 +1  124.6554992 +1     2     1     3
  C     1.41203515 +1  113.5275764 +1   55.3814027 +1     3     1     2
  C     1.38200838 +1  125.8460551 +1 -124.6940792 +1     3     1     2
  C     1.41192174 +1  113.5584830 +1  -55.3483903 +1     4     1     2
  C     1.38204143 +1  125.8141153 +1  124.6347352 +1     4     1     2
  C     1.51736407 +1  113.5642790 +1    0.0355865 +1     5     2     1
  C     1.38200410 +1  120.6213225 +1 -179.9446098 +1     5     2     1
  C     1.40091852 +1  118.6933741 +1  179.9731874 +1     6     2     1
  C     1.38207348 +1  120.6194845 +1  179.9020473 +1     7     3     1
  C     1.40083820 +1  118.6931126 +1 -179.9097529 +1     8     3     1
  C     1.38196444 +1  120.6253443 +1  179.9924221 +1     9     4     1
  C     1.40087038 +1  118.6969079 +1 -179.9631205 +1    10     4     1
  C     1.40091290 +1  118.6927224 +1    0.0014827 +1    12     5     2
  C     1.40088260 +1  118.6974577 +1   -0.0030563 +1    14     7     3
  C     1.40082391 +1  118.6840893 +1   -0.0114090 +1    16     9     4
  H     1.10460126 +1  113.5296617 +1  179.9532944 +1     1     2     5
  H     1.08660768 +1  120.9859843 +1   -0.0054357 +1     6     2     1
  H     1.08661355 +1  120.9805987 +1    0.0609367 +1     8     3     1
  H     1.08661310 +1  120.9922902 +1    0.0298269 +1    10     4     1
  H     1.10460576 +1  113.5538012 +1  179.9684585 +1    11     5     2
  H     1.08663953 +1  120.9873988 +1  179.9701051 +1    12     5     2
  H     1.08799939 +1  119.3759961 +1 -179.9886920 +1    13     6     2
  H     1.08663680 +1  120.9840134 +1 -179.9676092 +1    14     7     3
  H     1.08798888 +1  119.3799423 +1  179.9693618 +1    15     8     3
  H     1.08663684 +1  120.9924659 +1  179.9919826 +1    16     9     4
  H     1.08796636 +1  119.3749612 +1 -179.9976434 +1    17    10     4
  H     1.08798711 +1  119.3741535 +1  179.9901815 +1    18    12     5
  H     1.08797838 +1  119.3774627 +1 -179.9723787 +1    19    14     7
  H     1.08795054 +1  119.3808815 +1 -179.9967927 +1    20    16     9