Accuracy

benzyl chloride   1680 Benzyl chloride

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    #  Species Formula
  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 chloride C7H7Cl
  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
  1690 Hypochlorous acidHOCl


ΔHf: 4.5 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

Benzyl chloride
 H=4.5 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.78717581 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39403183 +1   60.0374673 +1    0.0000000 +0     1     2     0
  C     1.39389376 +1   60.0397653 +1  179.6003375 +1     1     2     3
  C     1.39260310 +1  120.0427743 +1    0.0327400 +1     3     1     2
  C     1.39273611 +1  120.0406972 +1   -0.0202567 +1     4     1     2
  H     1.08860505 +1  119.9505032 +1 -179.7422169 +1     1     4     2
  H     1.08841374 +1  120.0046481 +1  179.8615912 +1     3     1     5
  H     1.08839595 +1  120.0147800 +1 -179.8743060 +1     4     1     6
  H     1.08883050 +1  120.0014870 +1  179.4580538 +1     5     3     1
  H     1.08880917 +1  119.9839054 +1 -179.4868203 +1     6     4     1
  C     1.48410663 +1  149.9569278 +1  178.7832429 +1     2     3     1
  H     1.10314941 +1  114.0197397 +1  154.0418650 +1    12     2     5
 Cl     1.78747954 +1  106.4234830 +1  117.0685772 +1    12     2    13
  H     1.10322236 +1  113.9854274 +1  117.0725847 +1    12     2    14