PM7 Accuracy

2-nitro-m-xylene   1263 2-Nitro-m-xylene

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    #  Species Formula
  1253 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1254 m-Aminobenzoic acidC7H7NO2
  1255 o-Aminobenzoic acidC7H7NO2
  1256 p-Aminobenzoic acidC7H7NO2
  1257 p-NitrotolueneC7H7NO2
  1258 PhenylnitromethaneC7H7NO2
  1259 Salicylaldoxime (Geo)C7H7NO2
  1260 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1261 2,6-DimethylnitrobenzeneC8H9NO2
  1262 2-Amino-2-phenylacetic acidC8H9NO2
  1263 2-Nitro-m-xylene C8H9NO2
  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


DHf: 2.1 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-Nitro-m-xylene
 H=2.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40544979  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39716371  1  118.5202256  1    0.0000000  0     2     1     0
  C     1.39149907  1  120.5382115  1   -0.6759483  1     3     2     1
  C     1.39178255  1  120.4326047  1    0.1893638  1     4     3     2
  C     1.39673236  1  120.5087354  1    0.5446947  1     5     4     3
  N     1.45291563  1  119.2769306  1 -179.5408051  1     1     2     3
  O     1.22075233  1  118.5191388  1  140.4783100  1     7     1     2
  O     1.22077980  1  118.4900334  1 -179.8742169  1     7     1     8
  C     1.48634138  1  122.1471485  1  179.6900511  1     2     1     3
  H     1.08879508  1  119.6755237  1 -179.6360246  1     3     2     4
  H     1.08883909  1  119.7812256  1  179.5593216  1     5     4     6
  C     1.48634080  1  119.3488231  1  179.2495583  1     6     5     4
  H     1.09108359  1  119.7735102  1 -179.8902100  1     4     3     5
  H     1.09839938  1  112.9683371  1 -169.2830715  1    10     2     1
  H     1.10642211  1  110.9381805  1 -120.2601492  1    10     2    15
  H     1.10209508  1  112.6181343  1 -118.4139249  1    10     2    16
  H     1.10661703  1  110.9453572  1 -110.6962763  1    13     6     5
  H     1.10238802  1  112.3960594  1 -118.2026996  1    13     6    18
  H     1.09794832  1  113.1832271  1 -121.4189923  1    13     6    19