PM7 Accuracy

1-Nitroso-4-naphthalenol   1274 1-Nitroso-4-naphthalenol

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    #  Species Formula
  1264 N-PhenylglycineC8H9NO2
  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-naphthalenol C10H7NO2
  1275 2-Nitroso-1-naphthalenolC10H7NO2
  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


DHf: 17.8 kcal/mol,     REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
1-Nitroso-4-naphthalenol
 H=17.8 HR=B3LYP
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37313468  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41517648  1  120.6849398  1    0.0000000  0     2     1     0
  C     1.37267772  1  120.0318092  1    0.0155898  1     3     2     1
  C     1.41737148  1  120.0931614  1    0.0102102  1     4     3     2
  C     1.41946978  1  120.5243811  1   -0.0222894  1     1     2     3
  C     1.43279779  1  122.7589200  1 -179.9925134  1     6     1     2
  C     1.38425067  1  120.9883738  1  179.9845786  1     7     6     1
  C     1.40466488  1  120.9228743  1    0.0066863  1     8     7     6
  C     1.38092252  1  118.3804151  1    0.0002421  1     9     8     7
  N     1.43080420  1  116.3244616  1  179.9614631  1     7     6     8
  O     1.19196528  1  117.7908368  1  179.7074644  1    11     7     6
  H     1.09536519  1  119.8307794  1 -179.9969563  1     8     7     9
  H     1.09270120  1  120.8141327  1 -179.9948087  1     1     2     6
  H     1.09012719  1  120.4462063  1 -179.9839372  1     2     1     3
  H     1.08790522  1  119.1678303  1 -179.9847993  1     3     2     4
  H     1.09163904  1  121.1245127  1  179.9725622  1     4     3     5
  H     1.08469317  1  119.9460452  1 -179.9907555  1     9     8    10
  O     1.35036563  1  122.6393110  1 -179.9775102  1    10     9     8
  H     0.99194876  1  112.5803603  1   -0.0185135  1    19    10     9