PM7 Accuracy

phenoxazine   1008 Phenoxazine

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    #  Species Formula
   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
  1006 1-AdamantanecarboxamideC11H17NO
  1007 N,N-DimethylnonamideC11H23NO
  1008 Phenoxazine C12H9NO
  1009 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1010 9,10-Dihydro-9-oxoacridineC13H9NO
  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


DHf: 22.5 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
Phenoxazine
 H=22.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39654337  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39089757  1  120.9041498  1    0.0000000  0     2     1     0
  C     1.39753429  1  120.3853344  1   -0.1328997  1     3     2     1
  C     1.38716272  1  118.5943822  1    0.5025108  1     4     3     2
  C     1.39622567  1  119.4774175  1   -0.4299406  1     1     2     3
  N     1.40564676  1  121.5409587  1 -176.4781942  1     6     1     2
  C     1.40575669  1  116.8941560  1 -169.0745976  1     7     6     1
  C     1.41053829  1  119.4805914  1  -13.8285738  1     8     7     6
  C     1.38698488  1  121.7431458  1 -176.9630970  1     9     8     7
  C     1.39751167  1  118.5500902  1    0.3707342  1    10     9     8
  C     1.39062042  1  120.4550506  1   -0.4836450  1    11    10     9
  C     1.39672613  1  120.8719919  1    0.0673187  1    12    11    10
  O     1.37719712  1  115.1336071  1  178.8666310  1     5     4     3
  H     1.08648131  1  120.0740563  1 -179.3635506  1     1     2     6
  H     1.08901015  1  119.2275505  1  179.9986974  1     2     1     3
  H     1.08792483  1  120.1541099  1 -179.8299607  1     3     2     4
  H     1.08843657  1  121.2421599  1  179.8261751  1     4     3     5
  H     1.00995946  1  118.1956127  1  150.6982751  1     7     6     8
  H     1.08836752  1  120.2163152  1  179.7383266  1    10     9    11
  H     1.08817539  1  119.4032201  1 -179.8801924  1    11    10    12
  H     1.08880275  1  119.9351757  1 -179.9446670  1    12    11    13
  H     1.08650300  1  120.1221259  1  179.9742714  1    13    12    11