Accuracy

phenylnitromethane   1254 Phenylnitromethane

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    #  Species Formula
  1244 Ethyl N,N-dimethylglycinateC6H13NO2
  1245 Hexanoic acid, 6-amino-C6H13NO2
  1246 IsoleucineC6H13NO2
  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 Phenylnitromethane C7H7NO2
  1255 Salicylaldoxime (Geo)C7H7NO2
  1256 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1257 2,6-DimethylnitrobenzeneC8H9NO2
  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


ΔHf: 7.3 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
Phenylnitromethane
 H=7.34 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39055402 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39731570 +1  120.1037525 +1    0.0000000 +0     2     1     0
  C     1.39019364 +1  120.5013490 +1   -0.0067352 +1     3     2     1
  C     1.39578689 +1  119.6024721 +1   -0.0035118 +1     4     3     2
  C     1.38922080 +1  120.0236624 +1   -0.0034857 +1     5     4     3
  C     1.50159126 +1  125.8471097 +1 -179.9912273 +1     1     2     3
  O     2.29084480 +1  148.1321248 +1   -0.4733357 +1     7     1     2
  O     2.14511776 +1   64.1732937 +1   -1.1338512 +1     8     7     1
  H     1.08851368 +1  119.9232459 +1 -179.9959121 +1     5     4     6
  H     1.08865200 +1  119.2903988 +1 -179.9937815 +1     6     5     4
  H     1.12378105 +1  109.1573269 +1  122.0668709 +1     7     1     8
  N     1.21277485 +1   28.2875202 +1    0.0859993 +1     9     8     7
  H     1.08814516 +1  120.3353163 +1 -179.9993651 +1     4     3     5
  H     1.08957344 +1  119.4429965 +1 -179.9950756 +1     3     2     4
  H     1.09230158 +1  121.7067232 +1  179.9488762 +1     2     1     3
  H     1.12399849 +1  109.1235102 +1  114.9109063 +1     7     1    12