Accuracy

c2h5clr   2339 Chloroethane (Geo)

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    #  Species Formula
  2329 Chlorodiborane (Geo)H5B2Cl
  2330 ChloromethylidyneCCl
  2331 Chloromethylene (Geo)HCCl
  2332 ChloromethyleneHCCl
  2333 Chloromethane (Geo)CH3Cl
  2334 Methyl chlorideCH3Cl
  2335 CH3ClH(+)CH4Cl
  2336 Chloroacetylene (Geo)HC2Cl
  2337 ChloroacetyleneHC2Cl
  2338 ChloroethyleneC2H3Cl
  2339 Chloroethane (Geo) C2H5Cl
  2340 ChloroethaneC2H5Cl
  2341 DimethylchloroboraneH6BC2Cl
  2342 2-ChloropropeneC3H5Cl
  2343 2-Chloropropene (Geo)C3H5Cl
  2344 1-ChloropropaneC3H7Cl
  2345 1-Chloropropane (Geo)C3H7Cl
  2346 2-ChloropropaneC3H7Cl
  2347 2-Chloropropane (Geo)C3H7Cl
  2348 1-Chloro-2-methylpropaneC4H9Cl
  2349 2-Chloro-2-methylpropaneC4H9Cl


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
Chloroethane
 <> <C-Cl> <C-C-Cl> GR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50680887 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.80200000 +1  110.7000000 +1    0.0000000 +0     2     1     0
  H     1.10199228 +1  112.9052181 +1  117.5364629 +1     2     1     3
  H     1.10196396 +1  112.9041518 +1 -117.5350573 +1     2     1     3
  H     1.09977053 +1  112.1645313 +1   60.2137581 +1     1     2     3
  H     1.09893623 +1  111.1459749 +1 -179.8940822 +1     1     2     3
  H     1.09979720 +1  112.1706090 +1  -59.9979584 +1     1     2     3