PM7 Accuracy

1-(tert-butyldioxy)-3-propoxy-2-propanol   1397 1-(tert-Butyldioxy)-3-propoxy-2-propanol

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    #  Species Formula
  1387 1,1-DiacetoxyethaneC6H10O4
  1388 Dimethyl methylmalonateC6H10O4
  1389 2,2-DiacetoxypropaneC7H12O4
  1390 Diethyl malonateC7H12O4
  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-propanol C10H22O4
  1398 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1399 Be(II)O4 (ACACBE02)H14BeC10O4
  1400 Benzal diacetateC11H12O4
  1401 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  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


DHf: -157.0 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-Butyldioxy)-3-propoxy-2-propanol
 H=-157.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52849051  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52682403  1  111.8147807  1    0.0000000  0     2     1     0
  C     1.53433493  1  111.8288781  1 -126.3469985  1     2     1     3
  O     1.43038379  1  109.9128453  1 -111.7334063  1     2     1     4
  O     1.44876142  1  106.1545815  1  -64.2044403  1     5     2     1
  C     1.41153110  1  103.8648776  1  161.3415937  1     6     5     2
  C     1.53306459  1  109.1886875  1  -65.6573641  1     7     6     5
  O     1.40970049  1  109.0959670  1   70.3253467  1     8     7     6
  C     1.53919468  1  111.7125600  1  115.1864413  1     8     7     9
  O     1.41129066  1  109.1544704  1   71.5908925  1    10     8     7
  C     1.41631979  1  115.3855698  1   84.6960489  1    11    10     8
  C     1.53234849  1  110.0863100  1   81.4466942  1    12    11    10
  C     1.52553535  1  110.4437988  1  173.0176393  1    13    12    11
  H     1.09603024  1  111.5354578  1 -175.1728678  1     1     2     3
  H     1.09742451  1  111.0118975  1  119.2897042  1     1     2    15
  H     1.09448558  1  111.4476391  1  120.0607739  1     1     2    16
  H     1.09710736  1  111.3137861  1   53.9712313  1     3     2     1
  H     1.09728083  1  110.8765719  1  118.7768679  1     3     2    18
  H     1.09392635  1  111.7396701  1  120.6876525  1     3     2    19
  H     1.09596846  1  111.7786180  1  -53.1518858  1     4     2     1
  H     1.09761658  1  111.1613923  1 -120.0067142  1     4     2    21
  H     1.09522273  1  110.7177209  1 -119.8112198  1     4     2    22
  H     1.10460082  1  110.3935404  1  123.0362094  1     7     6     8
  H     1.10602440  1  103.1621292  1  116.9405907  1     7     6    24
  H     1.11183108  1  110.9855131  1  125.3559196  1     8     7    10
  H     0.98254380  1  111.2221114  1  -56.2244667  1     9     8     7
  H     1.10269248  1  110.9795865  1  124.8625456  1    10     8    11
  H     1.10578835  1  112.1014081  1  121.5393050  1    10     8    28
  H     1.10699119  1  101.8285460  1  118.6149115  1    12    11    13
  H     1.10152952  1  111.4431688  1  116.3145394  1    12    11    30
  H     1.10748176  1  109.4438848  1 -122.0826244  1    13    12    14
  H     1.10612990  1  110.2569942  1 -115.5808904  1    13    12    32
  H     1.09599413  1  111.6662048  1   60.0240666  1    14    13    12
  H     1.09609089  1  111.6362511  1 -120.5461457  1    14    13    34
  H     1.09644297  1  111.1628918  1 -119.6493898  1    14    13    35