PM7 Accuracy

ethyl decanoate   1201 Ethyl decanoate

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    #  Species Formula
  1191 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1193 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1194 p-tert-Butyl benzoic acidC11H14O2
  1195 Oxacyclododecan-2-oneC11H20O2
  1196 Ethyl nonanoateC11H22O2
  1197 1,1-DibutoxypropaneC11H24O2
  1198 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1199 Pentamethylbenzoic acidC12H16O2
  1200 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1201 Ethyl decanoate C12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2
  1207 Nitrogen dioxideNO2
  1208 Nitrogen dioxide (Geo)NO2
  1209 Nitrous acid (cis) (Geo)HNO2
  1210 Nitrous acid (trans) (Geo)HNO2
  1211 Nitrous acid, cisHNO2


DHf: -146.3 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
Ethyl decanoate
 H=-146.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51994258  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.43586487  1  104.1630231  1    0.0000000  0     2     1     0
  C     1.35646477  1  116.3006243  1  179.9942309  1     3     2     1
  C     1.49857579  1  109.4053809  1  179.9805781  1     4     3     2
  C     1.53084740  1  110.0899734  1  179.8323298  1     5     4     3
  C     1.53231679  1  110.6748964  1 -179.9957131  1     6     5     4
  C     1.53426891  1  110.3950484  1  179.9627008  1     7     6     5
  C     1.53378318  1  110.6988511  1  179.9741208  1     8     7     6
  C     1.53404949  1  110.6567026  1  179.9423574  1     9     8     7
  C     1.53382538  1  110.7107897  1  179.9615737  1    10     9     8
  C     1.53473452  1  110.7622969  1  179.9314518  1    11    10     9
  O     1.20382835  1  122.1938623  1   -0.0485522  1     4     3     2
  C     1.52872350  1  110.8853355  1  179.9670636  1    12    11    10
  H     1.09565506  1  111.1425505  1 -179.9369122  1     1     2     3
  H     1.09793394  1  111.2817471  1   59.6034009  1     1     2     3
  H     1.09795238  1  111.2876153  1  -59.4715775  1     1     2     3
  H     1.10434799  1  113.0193579  1   62.5450717  1     2     1    15
  H     1.10436378  1  113.0266464  1  -62.4050368  1     2     1    15
  H     1.11099682  1  109.8126170  1   57.3848882  1     5     4     3
  H     1.11101213  1  109.7852791  1  -57.8184976  1     5     4     3
  H     1.10865465  1  110.0332825  1   57.6209805  1     6     5     4
  H     1.10863337  1  110.0445037  1  -57.6719493  1     6     5     4
  H     1.10606197  1  110.2357807  1   58.2688149  1     7     6     5
  H     1.10606255  1  110.2247552  1  -58.4313064  1     7     6     5
  H     1.10631774  1  110.0574826  1   58.1231390  1     8     7     6
  H     1.10632785  1  110.0646555  1  -58.2176241  1     8     7     6
  H     1.10579679  1  110.0990149  1   58.1225694  1     9     8     7
  H     1.10579377  1  110.0901135  1  -58.3065852  1     9     8     7
  H     1.10600530  1  110.0117408  1   58.1307999  1    10     9     8
  H     1.10601227  1  110.0188688  1  -58.2250594  1    10     9     8
  H     1.10571359  1  110.0926581  1   58.0966567  1    11    10     9
  H     1.10570592  1  110.0841522  1  -58.2739307  1    11    10     9
  H     1.10632974  1  109.9669531  1   58.1056281  1    12    11    10
  H     1.10633363  1  109.9746021  1  -58.1672157  1    12    11    10
  H     1.09559384  1  111.2347163  1  179.9105458  1    14    12    11
  H     1.09564503  1  111.4461995  1   59.9636027  1    14    12    11
  H     1.09563192  1  111.4391472  1  -60.1500259  1    14    12    11