PM7 Accuracy

2-nitroadamantane   1278 2-Nitroadamantane

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    #  Species Formula
  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-naphthalenolC10H7NO2
  1276 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1277 1-NitroadamantaneC10H15NO2
  1278 2-Nitroadamantane C10H15NO2
  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
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2


DHf: -43.0 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-Nitroadamantane
 H=-43.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53989126  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54083392  1  109.6707413  1    0.0000000  0     2     1     0
  C     1.54088599  1  109.6378688  1  -60.1457364  1     3     2     1
  C     1.53988887  1  109.6715254  1   60.0913141  1     4     3     2
  C     1.54683269  1  107.3929449  1   60.7104809  1     1     2     3
  C     1.53718133  1  109.6131761  1 -120.1774446  1     1     2     6
  H     1.11549809  1  110.0096388  1 -120.4718585  1     1     2     7
  H     1.10356969  1  110.8298725  1 -122.2672545  1     2     1     3
  H     1.10518266  1  109.8254509  1 -116.6361016  1     2     1     9
  H     1.11242031  1  109.4576064  1 -120.0806733  1     3     2     4
  C     1.53996061  1  109.3831818  1 -120.0208231  1     3     2    11
  H     1.10359678  1  110.4984802  1 -122.4463832  1     4     3     5
  H     1.10515271  1  110.0784382  1 -116.5996160  1     4     3    13
  H     1.11555367  1  110.0052979  1 -179.9997405  1     5     4     3
  C     1.53727843  1  109.5812034  1 -120.4579989  1     5     4    15
  N     1.49704357  1  111.1371943  1  173.7131936  1     6     1     2
  H     1.12351205  1  109.4765074  1 -116.2380993  1     6     1    17
  H     1.10619023  1  110.4747233  1 -178.3031112  1     7     1     2
  C     1.53881374  1  109.8463241  1 -122.2206973  1     7     1    19
  H     1.10492034  1  109.9598892  1 -121.5561603  1     7     1    20
  H     1.10377875  1  110.2891422  1  178.3911804  1    12     3     2
  H     1.10377044  1  110.2879141  1 -116.8477257  1    12     3    22
  O     1.21891306  1  118.2362500  1  -28.8435555  1    17     6     1
  H     1.10613714  1  110.4750397  1  178.3123644  1    16     5     4
  H     1.10489158  1  109.9732673  1 -116.2431464  1    16     5    25
  H     1.11282364  1  109.5234432  1 -179.7556775  1    20     7     1
  O     1.21898016  1  118.1852806  1 -178.2103852  1    17     6    24