PM7 Accuracy

oxacyclododecan-2-one   1195 Oxacyclododecan-2-one

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    #  Species Formula
  1185 2-Isopropyl-6-methyl-pyrocatecholC10H14O2
  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-one C11H20O2
  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 decanoateC12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2


DHf: -123.6 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
Oxacyclododecan-2-one
 H=-123.6 HR=NIST
  C     0.05946250  1  -0.17327313  1  -0.02639347  1
  C     1.20239463  1  -0.67551058  1   0.80586578  1
  C     2.51949778  1  -0.04743359  1   0.33402905  1
  C     2.61144546  1   1.45604246  1   0.63866876  1
  C     2.19778478  1   2.30218735  1  -0.57184953  1
  C     2.38103739  1   3.80417281  1  -0.32323583  1
  C     1.35201731  1   4.40604225  1   0.64519440  1
  C    -0.09195823  1   4.31856276  1   0.12087061  1
  C    -0.86112668  1   3.13126011  1   0.72443008  1
  C    -1.61210248  1   2.32531711  1  -0.34226217  1
  C    -2.02989818  1   0.95962757  1   0.20265959  1
  O    -0.91315396  1   0.29862222  1   0.79502213  1
  O    -0.04921256  1  -0.18649774  1  -1.22465064  1
  H     1.03373231  1  -0.46733682  1   1.88364392  1
  H     1.24976988  1  -1.78226930  1   0.71365117  1
  H     3.36256680  1  -0.57478583  1   0.82186067  1
  H     2.64662928  1  -0.22659282  1  -0.75392641  1
  H     1.98258104  1   1.71309580  1   1.51132236  1
  H     3.64606463  1   1.71496537  1   0.93393355  1
  H     2.79337015  1   2.00357021  1  -1.45646295  1
  H     1.14442349  1   2.08865097  1  -0.84170498  1
  H     3.40055767  1   3.99221314  1   0.06536273  1
  H     2.32927840  1   4.34000825  1  -1.29150212  1
  H     1.43539750  1   3.91752453  1   1.63301472  1
  H     1.61391258  1   5.46747974  1   0.82376064  1
  H    -0.62677730  1   5.25848866  1   0.35066965  1
  H    -0.08231744  1   4.25624116  1  -0.98327976  1
  H    -0.16009569  1   2.45883470  1   1.26118301  1
  H    -1.56619780  1   3.48807178  1   1.49657647  1
  H    -2.49962676  1   2.88062710  1  -0.69586158  1
  H    -0.97051999  1   2.17954691  1  -1.23713372  1
  H    -2.72076154  1   1.03594940  1   1.06281016  1
  H    -2.46481001  1   0.31453301  1  -0.58120241  1