PM7 Accuracy

8-aminocaprylic acid   1265 8-Aminocaprylic acid

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    #  Species Formula
  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-xyleneC8H9NO2
  1264 N-PhenylglycineC8H9NO2
  1265 8-Aminocaprylic acid C8H17NO2
  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
  1274 1-Nitroso-4-naphthalenolC10H7NO2
  1275 2-Nitroso-1-naphthalenolC10H7NO2


DHf: -125.0 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
8-Aminocaprylic acid
 H=-125 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53858941  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53184048  1  110.4868826  1    0.0000000  0     2     1     0
  C     1.53392723  1  110.4419708  1  179.1677221  1     3     2     1
  C     1.53431160  1  110.7185421  1  179.3303030  1     4     3     2
  C     1.53223539  1  110.3182903  1  179.4212418  1     5     4     3
  C     1.53125745  1  110.6838423  1  179.6156292  1     6     5     4
  C     1.49346211  1  110.1283495  1  179.3426047  1     7     6     5
  N     1.48169719  1  109.1433731  1  175.2314795  1     1     2     3
  O     1.20177007  1  129.5608884  1   -1.5307555  1     8     7     6
  O     1.36163180  1  110.0257224  1 -179.9478731  1     8     7    10
  H     1.11010443  1  110.2550639  1  124.5037449  1     1     2     9
  H     1.11304934  1  109.9527139  1  117.9265280  1     1     2    12
  H     1.10489552  1  110.3353169  1  122.4668864  1     2     1     3
  H     1.10874192  1  109.2340904  1  115.7875079  1     2     1    14
  H     1.10626418  1  110.0510945  1  121.6726734  1     3     2     4
  H     1.10586794  1  110.2415023  1  116.5215853  1     3     2    16
  H     1.10630854  1  110.0218679  1  121.9703364  1     4     3     5
  H     1.10672082  1  109.9438696  1  116.1781653  1     4     3    18
  H     1.10601072  1  109.9578139  1  121.8717962  1     5     4     6
  H     1.10610121  1  109.9649957  1  116.3319978  1     5     4    20
  H     1.10870706  1  110.3610118  1  122.1976573  1     6     5     7
  H     1.10864657  1  110.3596693  1  115.6703356  1     6     5    22
  H     1.11178901  1  110.9646143  1  122.0055438  1     7     6     8
  H     1.11204062  1  110.9474461  1  116.2210889  1     7     6    24
  H     1.00619058  1  111.8847810  1   54.8893103  1     9     1     2
  H     1.00614073  1  111.6691648  1  122.3315417  1     9     1    26
  H     0.98730862  1  113.8610399  1  179.9624924  1    11     8     7