PM7 Accuracy

2,3-butanediol, 2,3-dimethyl-, monoformate   1331 2,3-Butanediol, 2,3-dimethyl-, monoformate

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    #  Species Formula
  1321 Trimethoxyborane (Geo)H9BC3O3
  1322 TrimethoxyboraneH9BC3O3
  1323 Maleic anhydrideC4H2O3
  1324 Acetic anhydrideC4H6O3
  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-, monoformate C7H14O3
  1332 Trimethoxymethyl benzeneC10H14O3
  1333 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1334 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1335 Benzoic acid, anhydrideC14H10O3
  1336 Nitrate radicalNO3
  1337 Nitrate anionNO3
  1338 Nitric acid (Geo)HNO3
  1339 Nitric acidHNO3
  1340 Methyl nitrateCH3NO3
  1341 Oxamic acidC2H3NO3


DHf: -161.7 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
2,3-Butanediol, 2,3-dimethyl-, monoformate
 HR=NIST H=-161.7
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52758982  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52735300  1  111.1873717  1    0.0000000  0     2     1     0
  O     1.42037104  1  109.4271081  1  121.1324488  1     2     1     3
  C     1.57143824  1  112.1084245  1  112.6964004  1     2     1     4
  C     1.52441882  1  111.6472614  1  -53.5959160  1     5     2     1
  O     1.43397866  1  101.1422655  1  116.9355787  1     5     2     6
  C     1.52418157  1  111.5891828  1  117.0000086  1     5     2     7
  C     1.35925079  1  119.2535001  1 -179.9545209  1     7     5     2
  O     1.20244557  1  116.6573728  1  179.8588080  1     9     7     5
  H     1.10009098  1  110.5949061  1   74.4455763  1     1     2     3
  H     1.09616589  1  111.3740329  1  119.7168642  1     1     2    11
  H     1.09407368  1  112.0606034  1  120.4336608  1     1     2    12
  H     1.09620985  1  111.3638030  1  165.6507364  1     3     2     1
  H     1.10002300  1  110.6714481  1  119.9511233  1     3     2    14
  H     1.09433826  1  112.0114858  1  119.7916930  1     3     2    15
  H     0.97387398  1  110.9649007  1  -60.6658398  1     4     2     1
  H     1.10235032  1  109.9387204  1  -48.3988706  1     6     5     2
  H     1.09706584  1  111.5509005  1  118.8178694  1     6     5    18
  H     1.09326921  1  112.9236832  1  121.7122392  1     6     5    19
  H     1.09713415  1  111.5316151  1  -70.4656716  1     8     5     2
  H     1.10237655  1  109.9940371  1  118.8494300  1     8     5    21
  H     1.09333725  1  112.8974714  1  119.5255063  1     8     5    22
  H     1.08798284  1  117.1208669  1 -179.9981001  1     9     7    10