Accuracy

1,2-diethoxy ethane   1116 1,2-Diethoxy ethane

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    #  Species Formula
  1106 Ethyl butanoateC6H12O2
  1107 Hexanoic acidC6H12O2
  1108 Methyl 2-methylbutanoateC6H12O2
  1109 Methyl 2,2-dimethyl-propanoateC6H12O2
  1110 Methyl 3-methylbutanoateC6H12O2
  1111 Methyl pentanoateC6H12O2
  1112 t-Butyl acetateC6H12O2
  1113 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1114 1,1-Diethoxy ethaneC6H14O2
  1115 1,1-Dimethoxy-butaneC6H14O2
  1116 1,2-Diethoxy ethane C6H14O2
  1117 1,6-HexanediolC6H14O2
  1118 2,3-Dimethyl-2,3-butanediolC6H14O2
  1119 DihydoxyphenylboraneH7BC6O2
  1120 3-(2-Furanyl)-2-propenalC7H6O2
  1121 Benzoic acidC7H6O2
  1122 Phenyl formateC7H6O2
  1123 TropoloneC7H6O2
  1124 3-Methyl-1,2-benzenediolC7H8O2
  1125 4-Methyl 1,2-BenzenediolC7H8O2
  1126 Ethyl 2-methylene-3-butenoateC7H10O2


ΔHf: -97.6 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
1,2-Diethoxy ethane
 H=-97.57 HR=NIST
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09757139 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52475410 +1  111.0670433 +1    0.0000000 +0     2     1     0
  O     1.42420662 +1  103.8903727 +1  -60.0652789 +1     3     2     1
  C     1.41902095 +1  112.8042725 +1  179.9948058 +1     4     3     2
  C     1.53785186 +1  103.5946384 +1  173.4601093 +1     5     4     3
  O     1.41984533 +1  103.3436681 +1 -178.6136139 +1     6     5     4
  C     1.42338477 +1  112.7903553 +1 -175.1602417 +1     7     6     5
  C     1.52461686 +1  104.1180368 +1 -178.6352547 +1     8     7     6
  H     1.09785163 +1  106.7074870 +1 -121.0142607 +1     2     1     3
  H     1.09383672 +1  108.2751861 +1 -116.3467775 +1     2     1    10
  H     1.10407191 +1  112.1060493 +1  118.0256053 +1     3     2     4
  H     1.10398053 +1  112.0930703 +1  123.9008025 +1     3     2    12
  H     1.10337651 +1  109.9066638 +1  119.3215177 +1     5     4     6
  H     1.10347672 +1  110.9600996 +1  121.2479898 +1     5     4    14
  H     1.10337340 +1  111.5259375 +1  118.1451061 +1     6     5     7
  H     1.10281534 +1  111.4474348 +1  122.8686266 +1     6     5    16
  H     1.10426960 +1  109.5486109 +1  119.9467911 +1     8     7     9
  H     1.10441451 +1  109.3846768 +1  120.1116361 +1     8     7    18
  H     1.09764463 +1  110.9795593 +1  -60.4455527 +1     9     8     7
  H     1.09782535 +1  110.9164770 +1  118.5500750 +1     9     8    20
  H     1.09380741 +1  111.4147474 +1  120.6996833 +1     9     8    21