Accuracy

2-methyl-1h-isoindole-1,3(2h)-dione   1262 2-Methyl-1H-isoindole-1,3(2H)-dione

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    #  Species Formula
  1252 p-Aminobenzoic acidC7H7NO2
  1253 p-NitrotolueneC7H7NO2
  1254 PhenylnitromethaneC7H7NO2
  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)-dione C9H7NO2
  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
  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


ΔHf: -55.9 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-Methyl-1H-isoindole-1,3(2H)-dione
 H=-55.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38779386 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40886591 +1  121.1055966 +1    0.0000000 +0     2     1     0
  C     1.37360092 +1  117.5108211 +1   -0.0024249 +1     3     2     1
  C     1.41473205 +1  121.3694739 +1    0.0065897 +1     4     3     2
  C     1.37359769 +1  121.3571437 +1   -0.0104976 +1     5     4     3
  C     1.49565463 +1  108.4086938 +1 -179.9989829 +1     5     4     6
  N     1.41944655 +1  105.4469325 +1    0.0296347 +1     7     5     4
  C     1.41989192 +1  112.3333487 +1   -0.0284815 +1     8     7     5
  O     1.19869412 +1  124.1831301 +1 -179.9877011 +1     9     8     7
  O     1.19898134 +1  130.3228666 +1 -179.9953702 +1     7     5     8
  C     1.45390233 +1  124.1936712 +1 -179.9713444 +1     8     7     9
  H     1.09029116 +1  119.9109107 +1  179.9940809 +1     1     2     3
  H     1.09021713 +1  119.9450404 +1 -179.9995386 +1     2     1     3
  H     1.09018776 +1  120.9801623 +1 -179.9996062 +1     3     2     4
  H     1.09020713 +1  121.4966514 +1 -179.9824242 +1     6     5     4
  H     1.10605501 +1  110.5803376 +1  120.3325803 +1    12     8     7
  H     1.10605367 +1  110.5744231 +1  119.7391984 +1    12     8    17
  H     1.10683469 +1  110.3247607 +1  120.1184564 +1    12     8    18