PM7 Accuracy

nitromesitylene   1267 Nitromesitylene

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    #  Species Formula
  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)-dioneC9H7NO2
  1267 Nitromesitylene C9H11NO2
  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
  1277 1-NitroadamantaneC10H15NO2


DHf: -6.4 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
Nitromesitylene
 H=-6.41 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39493696  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39697508  1  119.8811092  1    0.0000000  0     2     1     0
  C     1.39365388  1  120.7493779  1   -0.1449805  1     3     2     1
  C     1.40751666  1  118.7879628  1    0.4488636  1     4     3     2
  C     1.39515213  1  120.7247541  1   -0.3002276  1     1     2     3
  C     1.48908020  1  120.5446880  1 -179.8753185  1     2     1     3
  C     1.48666400  1  119.1275134  1 -179.7749737  1     6     1     2
  C     1.48676074  1  119.1925380  1  179.7246184  1     4     3     5
  N     1.44968263  1  119.4576281  1  179.7749493  1     5     4     3
  O     1.22129271  1  118.6675099  1   36.7446453  1    10     5     4
  O     1.22139212  1  118.5962909  1  179.9834872  1    10     5    11
  H     1.08827785  1  119.7227915  1 -179.8524220  1     1     2     6
  H     1.08823555  1  119.5236520  1 -179.8643398  1     3     2     4
  H     1.10137427  1  111.2667693  1  119.3893827  1     7     2     1
  H     1.10124968  1  111.3517997  1  119.2063231  1     7     2    15
  H     1.09854822  1  113.0841399  1  120.4247880  1     7     2    16
  H     1.09803643  1  113.0611731  1   -9.1696600  1     8     6     1
  H     1.10660701  1  110.8893924  1  120.2522184  1     8     6    18
  H     1.10223767  1  112.4646035  1  118.3272348  1     8     6    19
  H     1.10640947  1  110.9300737  1  111.3540896  1     9     4     3
  H     1.10257237  1  112.3514273  1  118.2406650  1     9     4    21
  H     1.09788973  1  113.1046085  1  121.2968178  1     9     4    22