PM7 Accuracy

2-Nitroso-1-naphthalenol   1275 2-Nitroso-1-naphthalenol

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    #  Species Formula
  1265 8-Aminocaprylic acidC8H17NO2
  1266 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2
  1267 NitromesityleneC9H11NO2
  1268 PhenylalanineC9H11NO2
  1269 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1270 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1271 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1272 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1273 1-Nitroso-2-naphthalenolC10H7NO2
  1274 1-Nitroso-4-naphthalenolC10H7NO2
  1275 2-Nitroso-1-naphthalenol C10H7NO2
  1276 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1277 1-NitroadamantaneC10H15NO2
  1278 2-NitroadamantaneC10H15NO2
  1279 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1280 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  1281 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  1282 NH2-NO2 (Geo)H2N2O2
  1283 OxalamideC2H4N2O2
  1284 HCONH2-HCONH2 (Geo)C2H6N2O2
  1285 N-NitrodimethylamineC2H6N2O2


DHf: 8.9 kcal/mol,     REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
2-Nitroso-1-naphthalenol
 H=8.9 HR=B3LYP
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37588043  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41203088  1  120.0125106  1    0.0000000  0     2     1     0
  C     1.37707576  1  120.7294823  1   -0.0359717  1     3     2     1
  C     1.41565615  1  120.3928387  1    0.0392636  1     4     3     2
  C     1.41341499  1  119.9208472  1    0.0257988  1     1     2     3
  C     1.43114464  1  121.9482664  1 -179.9969562  1     6     1     2
  C     1.40050276  1  121.6963724  1 -179.9815289  1     7     6     1
  C     1.42820696  1  119.1556163  1   -0.0144289  1     8     7     6
  C     1.36239992  1  120.2051047  1   -0.0365508  1     9     8     7
  O     1.32506583  1  116.6251014  1 -179.9893621  1     7     6     8
  H     1.02763089  1  113.7514834  1  179.9794448  1    11     7     6
  N     1.39879037  1  122.1046866  1 -179.9978171  1     8     7     9
  H     1.09291384  1  121.1706842  1  179.9961880  1     1     2     6
  H     1.08835094  1  120.6764957  1  179.9770544  1     2     1     3
  H     1.09066884  1  118.9418674  1 -179.9844260  1     3     2     4
  H     1.08856703  1  120.6366306  1 -179.9922728  1     4     3     5
  H     1.09324082  1  117.8730875  1 -179.9859712  1     9     8    10
  H     1.08834061  1  120.9182990  1 -179.9826914  1    10     9     8
  O     1.21032452  1  116.3021504  1    0.0114712  1    13     8     7