Accuracy

chlorobenzener   1679 Chlorobenzene (Geo)

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    #  Species Formula
  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
  1682 1-ChloronaphthaleneC10H7Cl
  1683 2-ChloronaphthaleneC10H7Cl
  1684 Cyanogen Chloride (Geo)CNCl
  1685 Cyanogen chlorideCNCl
  1686 Cyanogen chloride (Geo)CNCl
  1687 3-Chloro-4-methylanilineC7H8NCl
  1688 Chlorine oxideOCl
  1689 Chlorine monoxide (Geo)OCl


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

Chlorobenzene
 <> <><> <><><> <><><> <><><> <C-Cl> GR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39464381 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39493624 +1  120.1895686 +1    0.0000000 +0     2     1     0
  C     1.39498456 +1  120.3982243 +1   -0.0236134 +1     3     2     1
  C     1.39457565 +1  120.1990948 +1   -0.0147129 +1     4     3     2
  C     1.38797601 +1  118.0728630 +1    0.0167628 +1     5     4     3
 Cl     1.72200000 +1  118.4846658 +1 -179.9854454 +1     6     5     4
  H     1.08926782 +1  120.5520169 +1 -179.9832484 +1     1     2     3
  H     1.08932545 +1  119.7769398 +1  179.9880110 +1     2     1     3
  H     1.08896932 +1  119.8122853 +1  179.9995501 +1     3     2     4
  H     1.08934328 +1  120.0065978 +1 -179.9996633 +1     4     3     5
  H     1.08928636 +1  120.5627796 +1 -179.9959703 +1     5     4     6