Accuracy

chlorobenzene   1678 Chlorobenzene

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    #  Species Formula
  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 Chlorobenzene C6H5Cl
  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


ΔHf: 13.0 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.
  

Chlorobenzene
 H=13.01 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39438747 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39489071 +1  120.2130287 +1    0.0000000 +0     2     1     0
  C     1.39489739 +1  120.3640457 +1   -0.0094005 +1     3     2     1
  C     1.39444404 +1  120.2136742 +1   -0.0143764 +1     4     3     2
  C     1.38864750 +1  118.1509957 +1    0.0167012 +1     5     4     3
 Cl     1.71246000 +1  118.5575098 +1 -179.9800605 +1     6     5     4
  H     1.08926654 +1  120.5789791 +1 -179.9948267 +1     1     2     3
  H     1.08942002 +1  119.7483254 +1  179.9938094 +1     2     1     3
  H     1.08896051 +1  119.8341634 +1  179.9953194 +1     3     2     4
  H     1.08938968 +1  120.0030362 +1  179.9942629 +1     4     3     5
  H     1.08931769 +1  120.5837966 +1 -179.9935861 +1     5     4     6