Accuracy

chlorobenzene   2355 Chlorobenzene

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    #  Species Formula
  2345 1-Chloropropane (Geo)C3H7Cl
  2346 2-ChloropropaneC3H7Cl
  2347 2-Chloropropane (Geo)C3H7Cl
  2348 1-Chloro-2-methylpropaneC4H9Cl
  2349 2-Chloro-2-methylpropaneC4H9Cl
  2350 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2351 1-ChloropentaneC5H11Cl
  2352 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2353 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2354 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2355 Chlorobenzene C6H5Cl
  2356 Chlorobenzene (Geo)C6H5Cl
  2357 Benzyl chlorideC7H7Cl
  2358 1-Chloro-4-ethylbenzeneC8H9Cl
  2359 1-ChloronaphthaleneC10H7Cl
  2360 2-ChloronaphthaleneC10H7Cl
  2361 Cyanogen Chloride (Geo)CNCl
  2362 Cyanogen chlorideCNCl
  2363 Cyanogen chloride (Geo)CNCl
  2364 3-Chloro-4-methylanilineC7H8NCl
  2365 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl


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.
  
 PM7
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