Accuracy

1,4-dichlorobenzene   1759 1,4-Dichlorobenzene

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    #  Species Formula
  1749 cis-Dichloroethylene (Geo)C2H2Cl2
  1750 1,1-DichloroethyleneC2H2Cl2
  1751 trans-1,2-DichloroethyleneC2H2Cl2
  1752 1,1-DichloroethaneC2H4Cl2
  1753 1,1-Dichloroethane (Geo)C2H4Cl2
  1754 trans-1,2-DichloroethaneC2H4Cl2
  1755 trans-1,2-Dichloroethane (Geo)C2H4Cl2
  1756 1,2-DichloropropaneC3H6Cl2
  1757 1,2-DichlorobenzeneC6H4Cl2
  1758 1,3-DichlorobenzeneC6H4Cl2
  1759 1,4-Dichlorobenzene C6H4Cl2
  1760 Chlorine monoxideOCl2
  1761 Cl2O (Geo)OCl2
  1762 Carbonyl chlorideCOCl2
  1763 Carbonyl chloride (Geo)COCl2
  1764 Cl2O2O2Cl2
  1765 Oxalyl chlorideC2O2Cl2
  1766 Oxalyl chloride (Geo)C2O2Cl2
  1767 1,1-Dichloro-1-nitro-propaneC3H5NO2Cl2
  1768 Chlorine heptoxideO7Cl2
  1769 1,1',2,2'-Tetranitro-1,2-dichloroethaneC2N4O8Cl2


ΔHf: 5.9 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.
  

1,4-Dichlorobenzene
 H=5.88 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39030648 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39438768 +1  118.5136092 +1    0.0000000 +0     2     1     0
  C     1.39031774 +1  118.4956030 +1    0.0005956 +1     3     2     1
  C     1.39039531 +1  122.9933172 +1   -0.0037332 +1     4     3     2
  C     1.39039705 +1  122.9826453 +1    0.0038638 +1     1     2     3
 Cl     1.70850089 +1  118.5165584 +1 -179.9924709 +1     1     2     3
 Cl     1.70866446 +1  118.4952307 +1 -179.9993403 +1     4     3     2
  H     1.09102329 +1  121.2041294 +1 -179.9964971 +1     2     1     6
  H     1.09094628 +1  120.2663219 +1  179.9954698 +1     3     2     1
  H     1.09096778 +1  121.2251461 +1  179.9912676 +1     5     4     3
  H     1.09097744 +1  121.2282119 +1  179.9905634 +1     6     1     2