Accuracy

9,10-dihydro-9-oxoacridine   1007 9,10-Dihydro-9-oxoacridine

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    #  Species Formula
   997 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO
   998 2-(Dimethylamino)-acetophenoneC10H13NO
   999 N,N,4-Trimethyl benzamideC10H13NO
  1000 (E)-3-(Methylamino)-1-phenyl-but-2-enoneC11H13NO
  1001 1-Propanone, 2-(dimethylamino)-1-phenyl-C11H15NO
  1002 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxideC11H15NO
  1003 1-AdamantanecarboxamideC11H17NO
  1004 N,N-DimethylnonamideC11H23NO
  1005 PhenoxazineC12H9NO
  1006 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1007 9,10-Dihydro-9-oxoacridine C13H9NO
  1008 Benzenamine, N-(phenylmethylene)-, N-oxideC13H11NO
  1009 1-Propanone, 2-(diethylamino)-1-phenyl-C13H19NO
  1010 N,N-Dimethyl-1-adamantylcarboxamideC13H21NO
  1011 4-Isopropylbenzylidene t-butylamine N-oxideC14H21NO
  1012 Nitrous oxide (Geo)N2O
  1013 Nitrous oxideN2O
  1014 UreaCH4N2O
  1015 N-Methyl ureaC2H6N2O
  1016 Dimethyl furazanC4H6N2O
  1017 IsopropylureaC4H10N2O


ΔHf: 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