PM7 Accuracy

2-methyl-1h-isoindole-1,3(2h)-dione   1266 2-Methyl-1H-isoindole-1,3(2H)-dione

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    #  Species Formula
  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-xyleneC8H9NO2
  1264 N-PhenylglycineC8H9NO2
  1265 8-Aminocaprylic acidC8H17NO2
  1266 2-Methyl-1H-isoindole-1,3(2H)-dione C9H7NO2
  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
  1274 1-Nitroso-4-naphthalenolC10H7NO2
  1275 2-Nitroso-1-naphthalenolC10H7NO2
  1276 N,N-Dimethyl 4-methoxybenzamideC10H13NO2


DHf: -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