PM7 Accuracy

chlorobenzene   2358 Chlorobenzene

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    #  Species Formula
  2348 1-Chloropropane (Geo)C3H7Cl
  2349 2-ChloropropaneC3H7Cl
  2350 2-Chloropropane (Geo)C3H7Cl
  2351 1-Chloro-2-methylpropaneC4H9Cl
  2352 2-Chloro-2-methylpropaneC4H9Cl
  2353 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2354 1-ChloropentaneC5H11Cl
  2355 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2356 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2357 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2358 Chlorobenzene C6H5Cl
  2359 Chlorobenzene (Geo)C6H5Cl
  2360 Benzyl chlorideC7H7Cl
  2361 1-Chloro-4-ethylbenzeneC8H9Cl
  2362 1-ChloronaphthaleneC10H7Cl
  2363 2-ChloronaphthaleneC10H7Cl
  2364 Cyanogen Chloride (Geo)CNCl
  2365 Cyanogen chlorideCNCl
  2366 Cyanogen chloride (Geo)CNCl
  2367 3-Chloro-4-methylanilineC7H8NCl
  2368 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl


DHf: 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