PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1-tert-butoxy-3-propoxy-2-propanol   1332 1-tert-Butoxy-3-propoxy-2-propanol

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    #  Species Formula
  1322 Maleic anhydrideC4H2O3
  1323 Acetic anhydrideC4H6O3
  1324 TrimethoxymethaneC4H10O3
  1325 2,5,8-TrioxanonaneC6H14O3
  1326 TriethoxyboraneH15BC6O3
  1327 m-Salicylic acidC7H6O3
  1328 o-Salicylic acidC7H6O3
  1329 p-Salicylic acidC7H6O3
  1330 2,3-Butanediol, 2,3-dimethyl-, monoformateC7H14O3
  1331 Trimethoxymethyl benzeneC10H14O3
  1332 1-tert-Butoxy-3-propoxy-2-propanol C10H22O3
  1333 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1334 Benzoic acid, anhydrideC14H10O3
  1335 Nitrate radicalNO3
  1336 Nitrate anionNO3
  1337 Nitric acid (Geo)HNO3
  1338 Nitric acidHNO3
  1339 Methyl nitrateCH3NO3
  1340 Oxamic acidC2H3NO3
  1341 Ethyl nitrateC2H5NO3
  1342 SerineC3H7NO3


ΔHf: -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     1.52536582 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53333661 +1  110.5406397 +1    0.0000000 +0     2     1     0
  O     1.41368566 +1  110.2509840 +1  175.5925983 +1     3     2     1
  C     1.42204069 +1  114.3656789 +1   80.5744989 +1     4     3     2
  C     1.53335455 +1  104.0014768 +1 -159.4999036 +1     5     4     3
  C     1.54295494 +1  111.4019289 +1  157.1206825 +1     6     5     4
  O     1.40652323 +1  109.6859759 +1  -41.4022498 +1     7     6     5
  C     1.42344073 +1  118.6975847 +1  -96.1039164 +1     8     7     6
  C     1.52905705 +1  112.0565079 +1   56.7581997 +1     9     8     7
  C     1.53214454 +1  109.7497483 +1 -124.4555054 +1     9     8    10
  C     1.53776802 +1  101.1641767 +1 -117.4238824 +1     9     8    11
  O     1.41775327 +1  110.3152773 +1  114.5848871 +1     6     5     7
  H     1.09609620 +1  111.6388450 +1   60.3853827 +1     1     2     3
  H     1.09624027 +1  111.5990823 +1 -120.4401389 +1     1     2    14
  H     1.09627003 +1  111.1809603 +1 -119.7040351 +1     1     2    15
  H     1.10710351 +1  110.6585995 +1  121.4053961 +1     2     1     3
  H     1.10653638 +1  110.3366062 +1  116.3901505 +1     2     1    17
  H     1.10701659 +1  111.7114612 +1 -112.6141669 +1     3     2     4
  H     1.10180953 +1  112.3079149 +1 -122.9915525 +1     3     2    19
  H     1.10340487 +1  108.4280908 +1 -119.2751211 +1     5     4     6
  H     1.10500375 +1  111.4434922 +1 -120.3304921 +1     5     4    21
  H     1.11225414 +1  110.8836038 +1  119.3124557 +1     6     5    13
  H     1.09972681 +1  111.4790611 +1 -126.0002825 +1     7     6     8
  H     1.10944440 +1  110.4666123 +1 -120.9675900 +1     7     6    24
  H     1.09491213 +1  112.0377459 +1  -70.8265016 +1    10     9     8
  H     1.09769486 +1  110.9609110 +1  120.1785617 +1    10     9    26
  H     1.09475149 +1  111.1499736 +1  119.6906058 +1    10     9    27
  H     1.09706312 +1  110.5217822 +1  -45.8881024 +1    11     9     8
  H     1.09435922 +1  112.1126457 +1  119.7963261 +1    11     9    29
  H     1.09401914 +1  111.2891114 +1  120.4341760 +1    11     9    30
  H     1.09706438 +1  110.7420486 +1   57.0499039 +1    12     9     8
  H     1.09577240 +1  111.0069498 +1 -118.7208119 +1    12     9    32
  H     1.09256359 +1  111.2980603 +1 -120.8011228 +1    12     9    33
  H     0.97888434 +1  109.8243577 +1   53.7542229 +1    13     6     5