PM7 Accuracy

2-methyl-8-quinolinol    995 2-Methyl-8-quinolinol

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    #  Species Formula
   985 3-Phenyl isoxazoleC9H7NO
   986 4-QuinolinolC9H7NO
   987 5-Phenyl isoxazoleC9H7NO
   988 8-QuinolinolC9H7NO
   989 a-CyanoacetophenoneC9H7NO
   990 2,4,6-TrimethylnitrosobenzeneC9H11NO
   991 N,N-Dimethyl benzamideC9H11NO
   992 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   993 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   994 2-Methyl-4-hydroxyquinolineC10H9NO
   995 2-Methyl-8-quinolinol C10H9NO
   996 3-Methyl-5-phenyl isoxazoleC10H9NO
   997 4-Methyl-2-hydroxyquinolineC10H9NO
   998 5-Methyl-3-phenyl isoxazoleC10H9NO
   999 beta-CyanopropiophenoneC10H9NO
  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


DHf: -9.4 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
2-Methyl-8-quinolinol
 H=-9.42 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37399540  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41678308  1  117.6337259  1    0.0000000  0     2     1     0
  C     1.37863848  1  122.5261053  1   -0.0498230  1     3     2     1
  C     1.41785804  1  120.3368672  1   -0.0284173  1     4     3     2
  C     1.40371024  1  117.4875107  1    0.0469184  1     5     4     3
  N     1.36805260  1  126.1902654  1 -179.9816996  1     6     5     4
  C     1.32738343  1  116.7017697  1    0.0077967  1     7     6     5
  C     1.43657172  1  121.9206031  1   -0.0246539  1     8     7     6
  C     1.37078447  1  120.3437365  1    0.0255174  1     9     8     7
  O     1.33732814  1  124.2040686  1 -179.9758109  1     1     2     3
  C     1.49147085  1  118.3023770  1 -179.9906821  1     8     7     9
  H     1.08491488  1  121.4655329  1  179.9683694  1     2     1     3
  H     1.09162811  1  117.7797915  1 -179.9889343  1     3     2     4
  H     1.08644638  1  120.7420122  1 -179.9588061  1     4     3     5
  H     1.08715929  1  118.4115817  1  179.9895111  1     9     8    10
  H     1.08929556  1  121.5525864  1  179.9945863  1    10     9     8
  H     1.00640768  1  113.3920851  1 -179.9173596  1    11     1     2
  H     1.10006337  1  111.3013233  1 -119.9606709  1    12     8     7
  H     1.10008050  1  111.3136761  1 -120.2283200  1    12     8    19
  H     1.10271433  1  112.0845067  1 -119.8858696  1    12     8    20