PM7 Accuracy

2,4,6-trimethylnitrosobenzene    990 2,4,6-Trimethylnitrosobenzene

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    #  Species Formula
   980 Octanone-1-oximeC8H17NO
   981 Octanone-2-oximeC8H17NO
   982 Octanone-3-oximeC8H17NO
   983 Octanone-4-oximeC8H17NO
   984 2(1H)-QuinolinoneC9H7NO
   985 3-Phenyl isoxazoleC9H7NO
   986 4-QuinolinolC9H7NO
   987 5-Phenyl isoxazoleC9H7NO
   988 8-QuinolinolC9H7NO
   989 a-CyanoacetophenoneC9H7NO
   990 2,4,6-Trimethylnitrosobenzene C9H11NO
   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-quinolinolC10H9NO
   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


DHf: 25.7 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
2,4,6-Trimethylnitrosobenzene
 H=25.67 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39428241  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39567610  1  120.4524170  1    0.0000000  0     2     1     0
  C     1.40730848  1  119.5793771  1    0.0212251  1     3     2     1
  C     1.41362910  1  119.9445150  1   -0.0378834  1     4     3     2
  C     1.39132480  1  119.5105406  1    0.0319246  1     5     4     3
  N     1.42680184  1  125.0503701  1 -179.9826688  1     4     3     5
  O     1.19194837  1  119.1187933  1   -0.0646701  1     7     4     3
  H     2.14967464  1  130.9144208  1  147.0579855  1     1     2     3
  H     1.76915670  1   65.6895586  1  112.8927848  1     9     1     2
  H     1.76764528  1   60.0181804  1  -75.7525992  1    10     9     1
  C     1.10064909  1   36.5111154  1   38.6578565  1    10     9    11
  H     1.08747222  1  119.8079789  1 -179.9909409  1     2     1     3
  C     1.48663461  1  119.1760033  1  179.9767282  1     3     2     4
  C     1.48907416  1  120.7156851  1 -179.9566568  1     5     4     6
  H     1.08721681  1  119.9571412  1 -179.9965401  1     6     5     4
  H     1.10388212  1  111.3464650  1 -120.7929960  1    14     3     2
  H     1.09789265  1  113.2167050  1  120.8606472  1    14     3    17
  H     1.10377774  1  111.3797836  1  120.9012912  1    14     3    18
  H     1.10326161  1  111.0770810  1   59.3664152  1    15     5     4
  H     1.10322050  1  111.1547995  1 -117.5730009  1    15     5    20
  H     1.09649725  1  113.2661951  1 -121.2556090  1    15     5    21