PM7 Accuracy

9,10-dihydro-9-oxoacridine   1010 9,10-Dihydro-9-oxoacridine

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    #  Species Formula
  1000 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
  1001 2-(Dimethylamino)-acetophenoneC10H13NO
  1002 N,N,4-Trimethyl benzamideC10H13NO
  1003 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1004 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO
  1005 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1006 1-AdamantanecarboxamideC11H17NO
  1007 N,N-DimethylnonamideC11H23NO
  1008 PhenoxazineC12H9NO
  1009 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1010 9,10-Dihydro-9-oxoacridine C13H9NO
  1011 Benzenamine, N-(phenylmethylene)-, N-oxideC13H11NO
  1012 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1013 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1014 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1015 Nitrous oxide (Geo)N2O
  1016 Nitrous oxideN2O
  1017 UreaCH4N2O
  1018 N-Methyl ureaC2H6N2O
  1019 Dimethyl furazanC4H6N2O
  1020 IsopropylureaC4H10N2O


DHf: 8.3 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-oxoacridine
 H=8.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.46972941  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40584589  1  120.7791456  1    0.0000000  0     2     1     0
  N     1.39379567  1  120.6095322  1    0.2282091  1     3     2     1
  C     1.39371056  1  121.3027123  1   -0.3213438  1     4     3     2
  C     1.40572991  1  120.5965071  1    0.2678030  1     5     4     3
  C     1.39992629  1  119.3994870  1  179.9312081  1     6     5     4
  C     1.38655376  1  120.4568967  1    0.0135906  1     7     6     5
  C     1.40092816  1  119.8455542  1    0.0157682  1     8     7     6
  C     1.38504267  1  120.9238916  1    0.0011098  1     9     8     7
  C     1.39986306  1  119.8216448  1 -179.9145948  1     2     1     3
  C     1.38664162  1  120.4431511  1  179.8737368  1    11     2     1
  C     1.40091541  1  119.8634042  1   -0.0157026  1    12    11     2
  C     1.38504256  1  120.9184196  1    0.0304770  1    13    12    11
  O     1.21309166  1  122.0392232  1  179.8990719  1     1     2     3
  H     1.01073771  1  119.3281644  1 -179.4645515  1     4     3     5
  H     1.09576974  1  118.5908114  1 -179.9999573  1     7     6     8
  H     1.08669015  1  120.3442576  1  179.9956003  1     8     7     9
  H     1.09104027  1  119.3896566  1  179.9979604  1     9     8    10
  H     1.08514666  1  120.4684828  1 -179.9941123  1    10     9     8
  H     1.09571223  1  118.6181185  1 -179.9869028  1    11     2    12
  H     1.08673164  1  120.3286331  1 -179.9920705  1    12    11    13
  H     1.09105438  1  119.3897835  1  179.9999633  1    13    12    14
  H     1.08514745  1  120.4730252  1  179.9871358  1    14    13    12