PM7 Accuracy

1,1-dimethoxycyclopentane   1146 1,1-Dimethoxycyclopentane

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    #  Species Formula
  1136 5-Methyl-2,4-hexanedioneC7H12O2
  1137 Butyl 2-propenoateC7H12O2
  1138 Ethyl (Z)-2-pentenoateC7H12O2
  1139 Ethyl (Z)-3-pentenoateC7H12O2
  1140 Ethyl 4-pentenoateC7H12O2
  1141 Ethyl trans-2-pentenoateC7H12O2
  1142 HeptanolactoneC7H12O2
  1143 Isopropyl 2-butenoateC7H12O2
  1144 Propyl (E)-2-butenoateC7H12O2
  1145 (2a,4a,6b)-2,4,6-Trimethyl-1,3-dioxaneC7H14O2
  1146 1,1-Dimethoxycyclopentane C7H14O2
  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-DiethoxypropaneC7H16O2
  1154 1,7-HeptanediolC7H16O2
  1155 m-Methylbenzoic acidC8H8O2
  1156 Methyl benzoateC8H8O2


DHf: -95.0 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
1,1-Dimethoxycyclopentane
 H=-95.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54553380  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53478513  1  106.2320830  1    0.0000000  0     2     1     0
  C     1.54217235  1  107.3047151  1   12.9546247  1     3     2     1
  C     1.53920136  1  108.4978683  1    1.8299621  1     1     2     3
  O     1.40619638  1  111.4552765  1  115.2074234  1     1     2     5
  C     1.41741412  1  115.5684049  1   81.7278004  1     6     1     2
  O     1.41581140  1  110.8852863  1  117.3353080  1     1     2     6
  C     1.41083358  1  116.5487604  1   74.5003248  1     8     1     2
  H     1.10311568  1  110.0982959  1 -120.8104055  1     2     1     3
  H     1.10094426  1  110.9265578  1 -117.0932139  1     2     1    10
  H     1.10442869  1  110.3242675  1 -120.0635292  1     3     2     4
  H     1.10101607  1  111.5819900  1 -117.8292886  1     3     2    12
  H     1.10199048  1  111.2280100  1 -144.6326432  1     4     3     2
  H     1.10312607  1  110.6391556  1 -117.7645702  1     4     3    14
  H     1.09948337  1  111.7876763  1 -139.4085866  1     5     1     2
  H     1.10819897  1  109.2899149  1 -116.6322733  1     5     1    16
  H     1.09604177  1  109.6238281  1   74.4277494  1     7     6     1
  H     1.09292584  1  111.6681696  1 -122.7704577  1     7     6    18
  H     1.09649003  1  102.9044272  1 -119.2305460  1     7     6    19
  H     1.09392033  1  112.3634949  1  -42.1889283  1     9     8     1
  H     3.05340861  1  101.7058795  1  -99.5992415  1    15     4     3
  H     1.09811063  1  102.9245499  1 -118.9375976  1     9     8    21