Accuracy

2,6-dimethylnitrobenzene   1257 2,6-Dimethylnitrobenzene

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    #  Species Formula
  1247 LeucineC6H13NO2
  1248 Methyl N,N-dimethylalaninateC6H13NO2
  1249 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1250 m-Aminobenzoic acidC7H7NO2
  1251 o-Aminobenzoic acidC7H7NO2
  1252 p-Aminobenzoic acidC7H7NO2
  1253 p-NitrotolueneC7H7NO2
  1254 PhenylnitromethaneC7H7NO2
  1255 Salicylaldoxime (Geo)C7H7NO2
  1256 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1257 2,6-Dimethylnitrobenzene C8H9NO2
  1258 2-Amino-2-phenylacetic acidC8H9NO2
  1259 2-Nitro-m-xyleneC8H9NO2
  1260 N-PhenylglycineC8H9NO2
  1261 8-Aminocaprylic acidC8H17NO2
  1262 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2
  1263 NitromesityleneC9H11NO2
  1264 PhenylalanineC9H11NO2
  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


ΔHf: 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
2,6-Dimethylnitrobenzene
 H=2.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39025193 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39745071 +1  120.7470238 +1    0.0000000 +0     2     1     0
  C     1.41108931 +1  118.9967767 +1   -0.0949840 +1     3     2     1
  C     1.41110969 +1  120.4044743 +1    0.1600258 +1     4     3     2
  C     1.39039006 +1  120.1126915 +1    0.0137430 +1     1     2     3
  H     1.09115684 +1  119.9629677 +1 -179.9888292 +1     1     2     6
  N     1.44965347 +1  119.8125867 +1  179.9958998 +1     4     3     5
  O     1.22262591 +1  119.2068934 +1 -179.8025542 +1     8     4     3
  O     1.22261152 +1  119.2199569 +1 -179.9717429 +1     8     4     9
  H     1.08907324 +1  119.5780317 +1  179.9671915 +1     2     1     3
  C     1.48590534 +1  117.6873888 +1 -179.9717350 +1     3     2     4
  C     1.48579798 +1  123.3376340 +1  179.9025135 +1     5     4     3
  H     1.08921612 +1  119.5755185 +1 -179.9440941 +1     6     1     2
  H     1.10555892 +1  111.7261646 +1  120.6085449 +1    12     3     2
  H     1.09804696 +1  113.2579039 +1 -120.9243641 +1    12     3    15
  H     1.10544347 +1  111.7877872 +1 -120.9877961 +1    12     3    16
  H     1.10582025 +1  111.6812833 +1   59.1165241 +1    13     5     4
  H     1.10547008 +1  111.7963830 +1 -117.9877431 +1    13     5    18
  H     1.09786972 +1  113.3138334 +1 -121.0774104 +1    13     5    19