Accuracy

2,4,6-trimethylnitrosobenzene    987 2,4,6-Trimethylnitrosobenzene

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    #  Species Formula
   977 Octanone-1-oximeC8H17NO
   978 Octanone-2-oximeC8H17NO
   979 Octanone-3-oximeC8H17NO
   980 Octanone-4-oximeC8H17NO
   981 2(1H)-QuinolinoneC9H7NO
   982 3-Phenyl isoxazoleC9H7NO
   983 4-QuinolinolC9H7NO
   984 5-Phenyl isoxazoleC9H7NO
   985 8-QuinolinolC9H7NO
   986 a-CyanoacetophenoneC9H7NO
   987 2,4,6-Trimethylnitrosobenzene C9H11NO
   988 N,N-Dimethyl benzamideC9H11NO
   989 N,N-Dimethyamino-2,4,6-heptatriene-7-alC9H13NO
   990 2,2,6,6-Tetramethyl-4-piperidinoneC9H17NO
   991 2-Methyl-4-hydroxyquinolineC10H9NO
   992 2-Methyl-8-quinolinolC10H9NO
   993 3-Methyl-5-phenyl isoxazoleC10H9NO
   994 4-Methyl-2-hydroxyquinolineC10H9NO
   995 5-Methyl-3-phenyl isoxazoleC10H9NO
   996 beta-CyanopropiophenoneC10H9NO
   997 2,4,6-Trimethylbenzonitrile, N-oxideC10H11NO


ΔHf: 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