PM7 Accuracy

1,2-diethoxy ethane   1120 1,2-Diethoxy ethane

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    #  Species Formula
  1110 Ethyl butanoateC6H12O2
  1111 Hexanoic acidC6H12O2
  1112 Methyl 2-methylbutanoateC6H12O2
  1113 Methyl 2,2-dimethyl-propanoateC6H12O2
  1114 Methyl 3-methylbutanoateC6H12O2
  1115 Methyl pentanoateC6H12O2
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethaneC6H14O2
  1119 1,1-Dimethoxy-butaneC6H14O2
  1120 1,2-Diethoxy ethane C6H14O2
  1121 1,6-HexanediolC6H14O2
  1122 2,3-Dimethyl-2,3-butanediolC6H14O2
  1123 DihydoxyphenylboraneH7BC6O2
  1124 3-(2-Furanyl)-2-propenalC7H6O2
  1125 Benzoic acidC7H6O2
  1126 Phenyl formateC7H6O2
  1127 TropoloneC7H6O2
  1128 3-Methyl-1,2-benzenediolC7H8O2
  1129 4-Methyl 1,2-BenzenediolC7H8O2
  1130 Ethyl 2-methylene-3-butenoateC7H10O2


DHf: -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