PM7 Accuracy

chloroethane   2343 Chloroethane

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    #  Species Formula
  2333 ChloromethylidyneCCl
  2334 Chloromethylene (Geo)HCCl
  2335 ChloromethyleneHCCl
  2336 Chloromethane (Geo)CH3Cl
  2337 Methyl chlorideCH3Cl
  2338 CH3ClH(+)CH4Cl
  2339 Chloroacetylene (Geo)HC2Cl
  2340 ChloroacetyleneHC2Cl
  2341 ChloroethyleneC2H3Cl
  2342 Chloroethane (Geo)C2H5Cl
  2343 Chloroethane C2H5Cl
  2344 DimethylchloroboraneH6BC2Cl
  2345 2-ChloropropeneC3H5Cl
  2346 2-Chloropropene (Geo)C3H5Cl
  2347 1-ChloropropaneC3H7Cl
  2348 1-Chloropropane (Geo)C3H7Cl
  2349 2-ChloropropaneC3H7Cl
  2350 2-Chloropropane (Geo)C3H7Cl
  2351 1-Chloro-2-methylpropaneC4H9Cl
  2352 2-Chloro-2-methylpropaneC4H9Cl
  2353 2-Chloro-2-methylpropane (Geo)C4H9Cl


DHf: -26.8 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
  
 PM7
Chloroethane
 HR=WEPS1982 H=-26.8 S=65.97 CP=15.01
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50969441  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09996484  1  112.1616985  1    0.0000000  0     2     1     0
  H     1.10015777  1  112.1220778  1  120.1118142  1     2     1     3
  H     1.09868996  1  111.2901923  1 -120.0268185  1     2     1     3
  H     1.10175354  1  112.9975522  1   57.6738351  1     1     2     3
  H     1.10174830  1  112.9961528  1 -177.3497208  1     1     2     3
 Cl     1.78729904  1  108.8531746  1  -59.8409658  1     1     2     3