PM7 Accuracy

1-tert-butoxy-3-propoxy-2-propanol   1333 1-tert-Butoxy-3-propoxy-2-propanol

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    #  Species Formula
  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-, monoformateC7H14O3
  1332 Trimethoxymethyl benzeneC10H14O3
  1333 1-tert-Butoxy-3-propoxy-2-propanol C10H22O3
  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
  1342 Ethyl nitrateC2H5NO3
  1343 SerineC3H7NO3


DHf: -169.2 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
1-tert-Butoxy-3-propoxy-2-propanol
 H=-169.2 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52570288  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53188110  1  110.3713097  1    0.0000000  0     2     1     0
  O     1.41368354  1  110.5609253  1  172.8202699  1     3     2     1
  C     1.42153513  1  114.8207389  1   78.5105218  1     4     3     2
  C     1.53670280  1  100.2387984  1 -177.3897718  1     5     4     3
  C     1.53892447  1  111.7459501  1 -159.7418200  1     6     5     4
  O     1.40916219  1  107.3128213  1  -65.4857567  1     7     6     5
  C     1.42358655  1  118.1229618  1 -107.2646835  1     8     7     6
  C     1.53007542  1  111.5642734  1   59.0005221  1     9     8     7
  C     1.53248492  1  109.9393058  1 -124.2133867  1     9     8    10
  C     1.53673791  1  101.3378434  1 -117.5573085  1     9     8    11
  O     1.41238607  1  107.8853538  1  115.0447344  1     6     5     7
  H     1.09600470  1  111.6743229  1   60.5611077  1     1     2     3
  H     1.09627694  1  111.6588709  1 -120.5527817  1     1     2    14
  H     1.09638246  1  111.1625088  1 -119.6576555  1     1     2    15
  H     1.10751990  1  110.6509449  1  121.3464292  1     2     1     3
  H     1.10595573  1  110.3565451  1  116.3999523  1     2     1    17
  H     1.10717697  1  111.8131358  1 -112.7243203  1     3     2     4
  H     1.10254968  1  112.2780267  1 -123.0863686  1     3     2    19
  H     1.10215249  1  109.2753213  1 -118.7719815  1     5     4     6
  H     1.09963306  1  111.6937756  1 -121.7947726  1     5     4    21
  H     1.11034493  1  111.5198085  1  118.6761626  1     6     5    13
  H     1.10152942  1  110.8879840  1 -125.0423885  1     7     6     8
  H     1.10596967  1  111.8783404  1 -121.1728790  1     7     6    24
  H     1.09548264  1  111.9648715  1  -66.7401594  1    10     9     8
  H     1.09630432  1  110.9441238  1  120.2111291  1    10     9    26
  H     1.09471123  1  111.1081793  1  119.6862088  1    10     9    27
  H     1.09686903  1  110.5252388  1  -46.7816218  1    11     9     8
  H     1.09444534  1  112.1163560  1  119.8383656  1    11     9    29
  H     1.09396372  1  111.2715116  1  120.4465100  1    11     9    30
  H     1.09664990  1  110.8235090  1   58.8817862  1    12     9     8
  H     1.09636142  1  110.9106053  1 -118.6193135  1    12     9    32
  H     1.09236324  1  111.3210705  1 -120.7437979  1    12     9    33
  H     0.98128413  1  111.1059184  1   46.4017312  1    13     6     5