Accuracy

2-nitroadamantane   1275 2-Nitroadamantane

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    #  Species Formula
  1265 Phenylalanine Ca-Cb-Cc should be 113.6 (Geo)C9H11NO2
  1266 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1267 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1268 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1270 1-Nitroso-2-naphthalenolC10H7NO2
  1271 1-Nitroso-4-naphthalenolC10H7NO2
  1272 2-Nitroso-1-naphthalenolC10H7NO2
  1273 N,N-Dimethyl 4-methoxybenzamideC10H13NO2
  1274 1-NitroadamantaneC10H15NO2
  1275 2-Nitroadamantane C10H15NO2
  1276 Phenol, 2-[(phenylimino)methyl]-, N-oxideC13H11NO2
  1277 Benzenamine, N-[(4-methoxyphenyl)methylene]-, N-oxideC14H13NO2
  1278 N-(3-Phenoxy-2-hydroxypropyl)anilineC15H17NO2
  1279 NH2-NO2 (Geo)H2N2O2
  1280 OxalamideC2H4N2O2
  1281 HCONH2-HCONH2 (Geo)C2H6N2O2
  1282 N-NitrodimethylamineC2H6N2O2
  1283 Acetyl-ureaC3H6N2O2
  1284 PropanediamideC3H6N2O2
  1285 Pyrazine-1,4-dioxideC4H4N2O2


ΔHf: -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