PM7 Accuracy

ethyl nonanoate   1196 Ethyl nonanoate

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    #  Species Formula
  1186 Cyclohexyl butanoateC10H18O2
  1187 Ethyl octanoateC10H20O2
  1188 1,10-DecanediolC10H22O2
  1189 1-Naphthoic acidC11H8O2
  1190 Isonaphthoic acidC11H8O2
  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 nonanoate C11H22O2
  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 decanoateC12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2


DHf: -141.1 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 nonanoate
 H=-141.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52019238  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.43628493  1  104.0586036  1    0.0000000  0     2     1     0
  C     1.35623634  1  116.3005510  1 -179.9819257  1     3     2     1
  O     1.20383375  1  122.2152141  1   -0.0123702  1     4     3     2
  C     1.49864911  1  109.4276467  1  179.9752405  1     4     3     5
  C     1.53061250  1  110.0960703  1 -179.8785076  1     6     4     3
  C     1.53234412  1  110.6764819  1 -179.9145788  1     7     6     4
  C     1.53418545  1  110.3881417  1 -179.9539372  1     8     7     6
  C     1.53369211  1  110.7110864  1 -179.9263797  1     9     8     7
  C     1.53382608  1  110.6590124  1 -179.9648574  1    10     9     8
  C     1.53455660  1  110.7975892  1 -179.9155482  1    11    10     9
  C     1.52865992  1  110.8618424  1 -179.9788191  1    12    11    10
  H     1.09790096  1  111.2780938  1   59.8717602  1     1     2     3
  H     1.09793964  1  111.2758960  1 -119.0896951  1     1     2    14
  H     1.09560724  1  111.1472772  1 -120.4480289  1     1     2    15
  H     1.10436621  1  112.9980171  1  117.4585719  1     2     1     3
  H     1.10401961  1  113.0722845  1  125.0692433  1     2     1    17
  H     1.11095137  1  109.8219370  1 -122.5083854  1     6     4     7
  H     1.11115221  1  109.7813970  1 -115.0907879  1     6     4    19
  H     1.10867231  1  110.0613735  1  122.4145989  1     7     6     8
  H     1.10865698  1  110.0465563  1  115.2304662  1     7     6    21
  H     1.10601217  1  110.2438920  1 -121.7148706  1     8     7     9
  H     1.10612157  1  110.2201697  1 -116.6402357  1     8     7    23
  H     1.10630913  1  110.0852021  1  121.8956664  1     9     8    10
  H     1.10637173  1  110.0582685  1  116.2735422  1     9     8    25
  H     1.10574697  1  110.0927582  1 -121.8614309  1    10     9    11
  H     1.10583246  1  110.0716868  1 -116.3460220  1    10     9    27
  H     1.10587679  1  110.0911789  1  121.8897761  1    11    10    12
  H     1.10594853  1  110.0659914  1  116.2845189  1    11    10    29
  H     1.10619991  1  110.0035932  1 -121.9231551  1    12    11    13
  H     1.10628589  1  109.9848798  1 -116.2191665  1    12    11    31
  H     1.09571251  1  111.4387666  1  -59.9723046  1    13    12    11
  H     1.09569078  1  111.4296386  1  120.1134252  1    13    12    33
  H     1.09555890  1  111.2469167  1  119.9360693  1    13    12    34