PM7 Accuracy

1-nitroadamantane   1277 1-Nitroadamantane

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    #  Species Formula
  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-naphthalenolC10H7NO2
  1276 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1277 1-Nitroadamantane C10H15NO2
  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
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2


DHf: -45.7 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
1-Nitroadamantane
 H=-45.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53900032  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53974447  1  108.3357143  1    0.0000000  0     2     1     0
  C     1.53979645  1  109.4183540  1  -60.0727063  1     3     2     1
  C     1.53972837  1  109.6837923  1   60.4018201  1     4     3     2
  C     1.54055673  1  109.4278716  1  -60.4592224  1     5     4     3
  C     1.53873995  1  110.3811906  1  -61.1009777  1     1     2     3
  H     1.10778860  1  110.7522049  1 -121.3287924  1     2     1     3
  H     1.10508799  1  110.9246774  1 -117.1198077  1     2     1     8
  H     1.11317994  1  109.2426785  1 -119.9261903  1     3     2     4
  C     1.53977230  1  109.4948959  1 -119.9926069  1     3     2    10
  H     1.10440504  1  110.3293500  1 -121.7730491  1     4     3     5
  H     1.10403914  1  110.1926444  1 -116.7557897  1     4     3    12
  H     1.11319487  1  109.5685741  1 -119.7038364  1     5     4     6
  C     1.53966574  1  109.5926123  1 -120.2595206  1     5     4    14
  N     1.51305544  1  109.1922804  1 -120.2109350  1     1     2     7
  H     1.10630772  1  110.3456786  1  -61.2690457  1     6     5     4
  H     1.10770595  1  110.7822395  1 -177.4867953  1     7     1     2
  C     1.53973323  1  109.6325282  1  -60.2892658  1    11     3     2
  H     1.10522743  1  110.8971129  1  117.0224390  1     7     1    18
  H     1.10401157  1  110.2037071  1 -121.4656537  1    11     3    19
  H     1.10418003  1  110.3630128  1 -116.7701596  1    11     3    21
  O     1.21875474  1  118.2163923  1  149.2952822  1    16     1     2
  H     1.10441201  1  110.3679989  1  178.6916412  1    15     5     4
  H     1.10403273  1  110.1874419  1 -116.7847193  1    15     5    24
  H     1.11316489  1  109.5759943  1 -179.9228095  1    19    11     3
  O     1.21887216  1  118.1309131  1  178.6755401  1    16     1    23
  H     1.10615550  1  110.3316680  1 -117.3108836  1     6     5    17