PM7 Accuracy

benzoic acid, anhydride   1335 Benzoic acid, anhydride

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    #  Species Formula
  1325 TrimethoxymethaneC4H10O3
  1326 2,5,8-TrioxanonaneC6H14O3
  1327 TriethoxyboraneH15BC6O3
  1328 m-Salicylic acidC7H6O3
  1329 o-Salicylic acidC7H6O3
  1330 p-Salicylic acidC7H6O3
  1331 2,3-Butanediol, 2,3-dimethyl-, monoformateC7H14O3
  1332 Trimethoxymethyl benzeneC10H14O3
  1333 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1334 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1335 Benzoic acid, anhydride C14H10O3
  1336 Nitrate radicalNO3
  1337 Nitrate anionNO3
  1338 Nitric acid (Geo)HNO3
  1339 Nitric acidHNO3
  1340 Methyl nitrateCH3NO3
  1341 Oxamic acidC2H3NO3
  1342 Ethyl nitrateC2H5NO3
  1343 SerineC3H7NO3
  1344 2-NitrofuranC4H3NO3
  1345 ThreonineC4H9NO3


DHf: -76.3 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
Benzoic acid, anhydride
 H=-76.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39226065  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39490329  1  119.9462698  1    0.0000000  0     2     1     0
  C     1.39434248  1  120.2942461  1   -0.0818394  1     3     2     1
  C     1.39337433  1  120.0562076  1   -0.1172609  1     4     3     2
  C     1.39486470  1  119.4479958  1    0.0959464  1     5     4     3
  C     1.47558617  1  121.5617881  1  179.3608099  1     6     5     4
  O     1.37868048  1  108.7219794  1   25.1333089  1     7     6     5
  C     1.37869555  1  123.4642292  1  172.9278607  1     8     7     6
  C     1.47515117  1  109.0723190  1  172.3495704  1     9     8     7
  C     1.39516435  1  121.8382290  1   16.8002648  1    10     9     8
  C     1.39320159  1  119.4934101  1  179.6544175  1    11    10     9
  C     1.39436874  1  120.0464856  1    0.0464476  1    12    11    10
  C     1.39481479  1  120.2908483  1   -0.1513173  1    13    12    11
  C     1.39219979  1  119.9670444  1    0.0437683  1    14    13    12
  O     1.19453434  1  127.9677475  1 -153.8875724  1     7     6     5
  O     1.19505106  1  123.1097224  1   -8.7818640  1     9     8     7
  H     1.09290275  1  120.4562936  1 -179.4129723  1     1     2     3
  H     1.08863734  1  119.9926002  1  179.7840800  1     2     1     3
  H     1.08943429  1  119.8408921  1  179.8317907  1     3     2     1
  H     1.08812028  1  120.0069068  1  179.8408045  1     4     3     2
  H     1.09134575  1  120.2600316  1  179.8270791  1     5     4     3
  H     1.09160078  1  120.3153690  1   -0.0093857  1    11    10     9
  H     1.08810003  1  119.9415735  1 -179.8802788  1    12    11    10
  H     1.08949653  1  119.8686909  1  179.9301285  1    13    12    11
  H     1.08865715  1  120.0513757  1 -179.8589429  1    14    13    12
  H     1.09325849  1  120.4710812  1 -179.6038825  1    15    14    13