Accuracy

3,9-dimethylbenz(a)anthracene    395 3,9-Dimethylbenz[a]anthracene

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    #  Species Formula
   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']benzanthraceneC20H14
   395 3,9-Dimethylbenz[a]anthracene C20H16
   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
   405 HexadecylcyclopentaneC21H42


ΔHf: 45.1 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
3,9-Dimethylbenz[a]anthracene
 H=45.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36443090 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42884514 +1  120.4866460 +1    0.0000000 +0     2     1     0
  C     1.36822837 +1  120.0684671 +1    0.0310063 +1     3     2     1
  C     1.42797177 +1  120.5797694 +1   -0.0119324 +1     4     3     2
  C     1.42984120 +1  120.6322755 +1   -0.0206971 +1     1     2     3
  C     1.40690060 +1  121.4072026 +1  179.9960167 +1     6     1     2
  C     1.38773304 +1  121.3099835 +1  179.9854198 +1     7     6     1
  C     1.42723854 +1  118.7871989 +1   -0.0076926 +1     8     7     6
  C     1.40674356 +1  121.6380919 +1  179.9810165 +1     5     4     3
  C     1.45427711 +1  122.2858030 +1  179.9979213 +1     8     7     9
  C     1.40708570 +1  119.6045082 +1  179.9908630 +1    11     8     7
  C     1.44454990 +1  119.9433713 +1    0.0075776 +1    12    11     8
  C     1.44546662 +1  119.4943859 +1 -179.9712973 +1     9     8     7
  C     1.40708810 +1  120.2179372 +1  179.9900493 +1    12    11    13
  C     1.38460480 +1  120.5018333 +1   -0.0160570 +1    15    12    11
  C     1.40664479 +1  119.4781977 +1    0.0043657 +1    16    15    12
  C     1.38138927 +1  120.3527677 +1   -0.0092259 +1    17    16    15
  C     1.49067014 +1  118.2988382 +1 -179.9913685 +1     3     2     4
  C     1.49069834 +1  121.1018699 +1 -179.9920424 +1    16    15    17
  H     1.08887620 +1  121.0159977 +1 -179.9932893 +1     1     2     6
  H     1.08780075 +1  121.0615079 +1 -179.9882973 +1     2     1     3
  H     1.08747169 +1  121.1537949 +1 -179.9967838 +1     4     3     5
  H     1.09000871 +1  118.2416008 +1 -179.9976184 +1     7     6     8
  H     1.08905490 +1  119.0425740 +1   -0.0097365 +1    10     5     4
  H     1.08896866 +1  117.5531202 +1 -179.9929319 +1    13    12    11
  H     1.08947235 +1  117.4600443 +1  179.9867459 +1    14     9     8
  H     1.08787566 +1  119.1955318 +1 -179.9935909 +1    15    12    16
  H     1.08780876 +1  119.4088737 +1  179.9992239 +1    17    16    18
  H     1.09001229 +1  119.2793707 +1  179.9974379 +1    18    17    16
  H     1.10020162 +1  111.2397870 +1   59.6559759 +1    19     3     2
  H     1.10021859 +1  111.2450734 +1 -119.4731537 +1    19     3    31
  H     1.09816743 +1  112.8137880 +1 -120.2644545 +1    19     3    32
  H     1.10017253 +1  111.2497546 +1  120.0825242 +1    20    16    15
  H     1.10015627 +1  111.2728073 +1  119.4551250 +1    20    16    34
  H     1.09799925 +1  112.8469896 +1  120.2801814 +1    20    16    35