Accuracy

1-chloropropaner   1671 1-Chloropropane (Geo)

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    #  Species Formula
  1661 Methyl chlorideCH3Cl
  1662 CH3ClH(+)CH4Cl
  1663 Chloroacetylene (Geo)HC2Cl
  1664 ChloroacetyleneHC2Cl
  1665 ChloroethyleneC2H3Cl
  1666 Chloroethane (Geo)C2H5Cl
  1667 ChloroethaneC2H5Cl
  1668 2-ChloropropeneC3H5Cl
  1669 2-Chloropropene (Geo)C3H5Cl
  1670 1-ChloropropaneC3H7Cl
  1671 1-Chloropropane (Geo) C3H7Cl
  1672 2-ChloropropaneC3H7Cl
  1673 2-Chloropropane (Geo)C3H7Cl
  1674 1-Chloro-2-methylpropaneC4H9Cl
  1675 2-Chloro-2-methylpropaneC4H9Cl
  1676 2-Chloro-2-methylpropane (Geo)C4H9Cl
  1677 1-ChloropentaneC5H11Cl
  1678 ChlorobenzeneC6H5Cl
  1679 Chlorobenzene (Geo)C6H5Cl
  1680 Benzyl chlorideC7H7Cl
  1681 1-Chloro-4-ethylbenzeneC8H9Cl


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

1-Chloropropane
 <> <><> <C-Cl><C-C-Cl> GR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52826297 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51442129 +1  109.7874969 +1    0.0000000 +0     2     1     0
 Cl     1.79600000 +1  111.3000000 +1  179.9759951 +1     3     2     1
  H     1.09631375 +1  111.7497170 +1  -60.2438549 +1     1     2     3
  H     1.09631420 +1  111.7355599 +1  120.7532728 +1     1     2     5
  H     1.09707644 +1  111.0171269 +1  119.6158821 +1     1     2     6
  H     1.10980400 +1  110.0711327 +1  122.1708716 +1     2     1     3
  H     1.10984315 +1  110.0502089 +1  115.6039537 +1     2     1     8
  H     1.10209410 +1  112.6561597 +1  117.6972774 +1     3     2     4
  H     1.10209220 +1  112.6325859 +1  124.3860180 +1     3     2    10