PM7 Accuracy

1,3-diethoxypropane   1153 1,3-Diethoxypropane

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    #  Species Formula
  1143 Isopropyl 2-butenoateC7H12O2
  1144 Propyl (E)-2-butenoateC7H12O2
  1145 (2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxaneC7H14O2
  1146 1,1-DimethoxycyclopentaneC7H14O2
  1147 1,1-Dimethylpropyl acetateC7H14O2
  1148 Ethyl 2-methylbutanoateC7H14O2
  1149 Ethyl 3-methylbutanoateC7H14O2
  1150 Ethyl pentanoateC7H14O2
  1151 Methyl 3,3-dimethylbutanoateC7H14O2
  1152 Methyl hexanoateC7H14O2
  1153 1,3-Diethoxypropane C7H16O2
  1154 1,7-HeptanediolC7H16O2
  1155 m-Methylbenzoic acidC8H8O2
  1156 Methyl benzoateC8H8O2
  1157 o-Methylbenzoic acidC8H8O2
  1158 p-Methylbenzoic acidC8H8O2
  1159 1,3-Dioxolane-2-phenylC9H10O2
  1160 2,3-Dimethylbenzoic acidC9H10O2
  1161 2,4-Dimethylbenzoic acidC9H10O2
  1162 2,5-Dimethylbenzoic acidC9H10O2
  1163 2,6-Dimethylbenzoic acidC9H10O2


DHf: -104.3 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
1,3-Diethoxypropane
 H=-104.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52500259  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.42351199  1  103.9602350  1    0.0000000  0     2     1     0
  C     1.42087849  1  112.8813634  1  179.7112047  1     3     2     1
  C     1.52943949  1  103.9347201  1  177.8531199  1     4     3     2
  C     1.52882262  1  110.3912198  1  177.6100037  1     5     4     3
  O     1.42177033  1  103.7327366  1  177.6423505  1     6     5     4
  C     1.42270214  1  112.9115615  1  177.8826563  1     7     6     5
  C     1.52480192  1  104.1486670  1  179.2068601  1     8     7     6
  H     1.09787977  1  110.9051430  1   60.3114015  1     1     2     3
  H     1.10397154  1  111.9871441  1  118.1523379  1     2     1     3
  H     1.10371412  1  112.0538446  1  123.6522620  1     2     1    11
  H     1.10427007  1  109.4451668  1  119.8014699  1     4     3     5
  H     1.10409874  1  109.8258325  1  120.3025362  1     4     3    13
  H     1.10857115  1  110.3438541  1 -122.5122990  1     5     4     6
  H     1.10875777  1  110.3722511  1 -115.1227968  1     5     4    15
  H     1.10398361  1  111.9966313  1  118.2824715  1     6     5     7
  H     1.10389669  1  112.1167735  1  123.7844720  1     6     5    17
  H     1.10413871  1  109.5209917  1  119.9294748  1     8     7     9
  H     1.10410698  1  109.6088155  1  120.1357188  1     8     7    19
  H     1.09352354  1  111.4954343  1 -179.7395896  1     9     8     7
  H     1.09801199  1  110.8661772  1 -118.4021485  1     1     2    10
  H     1.09351779  1  111.4992499  1 -120.7917784  1     1     2    22
  H     1.09794034  1  110.8815389  1  120.7986391  1     9     8    21
  H     1.09797722  1  110.8966341  1  118.3685250  1     9     8    24