PM7 Accuracy

1-butoxy-1-tert-butyldioxy-2-propanol   1401 1-Butoxy-1-tert-butyldioxy-2-propanol

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    #  Species Formula
  1391 Dimethyl dimethylmalonateC7H12O4
  1392 3,5,7,9-TetraoxyundecaneC7H16O4
  1393 12-Crown-4C8H16O4
  1394 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1395 Dimethyl isophthalateC10H10O4
  1396 Dimethyl phthalateC10H10O4
  1397 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1398 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1399 Be(II)O4 (ACACBE02)H14BeC10O4
  1400 Benzal diacetateC11H12O4
  1401 1-Butoxy-1-tert-butyldioxy-2-propanol C11H24O4
  1402 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1403 Benzyl diacetateC12H14O4
  1404 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1405 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1406 1,4,9,10-AnthracenetetroneC14H6O4
  1407 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1408 Diphenyl oxalateC14H10O4
  1409 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1410 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1411 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4


DHf: -161.3 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
1-Butoxy-1-tert-butyldioxy-2-propanol
 H=-161.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52803994  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52857769  1  111.5668119  1    0.0000000  0     1     2     0
  C     1.53559947  1  111.8044103  1  126.0420164  1     1     2     3
  O     1.42649728  1  110.2460528  1  111.7148603  1     1     2     4
  O     1.44678141  1  106.1487665  1   64.5078069  1     5     1     2
  C     1.40311739  1  105.1420453  1 -164.3672160  1     6     5     1
  O     1.40967301  1  110.5086681  1   97.9903683  1     7     6     5
  C     1.42254565  1  114.7991209  1  -76.2140949  1     8     7     6
  C     1.53072202  1  104.2704540  1  166.5315788  1     9     8     7
  C     1.53187781  1  110.1760582  1 -177.0518991  1    10     9     8
  C     1.52860809  1  110.7047686  1  179.8328554  1    11    10     9
  C     1.55760786  1  106.1693752  1  108.9948460  1     7     6     8
  C     1.52214459  1  111.6412402  1  -38.4061547  1    13     7     6
  O     1.40289746  1  105.9574097  1 -121.4688117  1    13     7    14
  H     1.09516041  1  111.6915940  1 -175.3117221  1     2     1     3
  H     1.09872083  1  110.7764388  1 -119.1254706  1     2     1    16
  H     1.09404365  1  111.5585081  1 -120.0902244  1     2     1    17
  H     1.09707704  1  111.1305450  1  -54.9731583  1     3     1     2
  H     1.09662776  1  110.9340906  1 -118.7809885  1     3     1    19
  H     1.09349829  1  111.6976504  1 -120.6832610  1     3     1    20
  H     1.09606062  1  111.4242817  1   58.3527097  1     4     1     2
  H     1.09631814  1  111.2759538  1  119.9401060  1     4     1    22
  H     1.09457604  1  110.6106428  1  119.9801708  1     4     1    23
  H     1.10555468  1  112.3982108  1  126.1749707  1     7     6    13
  H     1.10360750  1  108.1771762  1  119.8754447  1     9     8    10
  H     1.10436832  1  109.9133473  1  119.9320229  1     9     8    26
  H     1.10626596  1  109.9460942  1 -122.3551199  1    10     9    11
  H     1.10707842  1  109.6272467  1 -115.5480362  1    10     9    28
  H     1.10692019  1  110.1028591  1  121.7011430  1    11    10    12
  H     1.10674164  1  110.1548644  1  116.5693206  1    11    10    30
  H     1.09594021  1  111.4673939  1  -59.8594795  1    12    11    10
  H     1.09601601  1  111.4426842  1  120.0143248  1    12    11    32
  H     1.09533345  1  111.3025333  1  119.9632556  1    12    11    33
  H     1.11187565  1  110.9751886  1 -111.8008538  1    13     7    15
  H     1.09607316  1  111.6214474  1   68.4265756  1    14    13     7
  H     1.09837734  1  111.2215283  1 -119.8753472  1    14    13    36
  H     1.09719030  1  110.7499183  1 -119.6062844  1    14    13    37
  H     0.98363214  1  111.3440019  1   60.1820551  1    15    13     7