Accuracy

phenoxazine   1005 Phenoxazine

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    #  Species Formula
   995 5-Methyl-3-phenyl isoxazoleC10H9NO
   996 beta-CyanopropiophenoneC10H9NO
   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 Phenoxazine C12H9NO
  1006 2-(Diethylamino)-1-phenylethanoneC12H17NO
  1007 9,10-Dihydro-9-oxoacridineC13H9NO
  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


ΔHf: 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