Accuracy

1,3-dichlorobenzene   1758 1,3-Dichlorobenzene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1748 cis-DichloroethyleneC2H2Cl2
  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-Dichlorobenzene C6H4Cl2
  1759 1,4-DichlorobenzeneC6H4Cl2
  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


ΔHf: 6.7 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.
  

1,3-Dichlorobenzene
 H=6.72 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.38997321 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39490251 +1  118.7454746 +1    0.0000000 +0     2     1     0
  C     1.39483900 +1  120.4152181 +1    0.0073205 +1     3     2     1
  C     1.39016604 +1  118.6207392 +1    0.0164352 +1     4     3     2
  C     1.39008853 +1  122.6629124 +1    0.0222465 +1     1     2     3
 Cl     1.70721923 +1  118.8879997 +1 -179.9981914 +1     1     2     3
 Cl     1.70774902 +1  118.8007764 +1 -179.9854069 +1     5     4     3
  H     1.09073808 +1  120.8740829 +1  179.9998626 +1     2     1     6
  H     1.09075887 +1  119.7590566 +1  179.9968243 +1     3     2     1
  H     1.09043065 +1  120.4300470 +1 -179.9986735 +1     4     3     2
  H     1.09155530 +1  121.5207331 +1 -179.9960373 +1     6     1     2