Accuracy

chlorobenzener   2356 Chlorobenzene (Geo)

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    #  Species Formula
  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 ChlorobenzeneC6H5Cl
  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
  2366 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
Chlorobenzene
 <> <><> <><><> <><><> <><><> <C-Cl> GR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39464381 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39493624 +1  120.1895686 +1    0.0000000 +0     2     1     0
  C     1.39498456 +1  120.3982243 +1   -0.0236134 +1     3     2     1
  C     1.39457565 +1  120.1990948 +1   -0.0147129 +1     4     3     2
  C     1.38797601 +1  118.0728630 +1    0.0167628 +1     5     4     3
 Cl     1.72200000 +1  118.4846658 +1 -179.9854454 +1     6     5     4
  H     1.08926782 +1  120.5520169 +1 -179.9832484 +1     1     2     3
  H     1.08932545 +1  119.7769398 +1  179.9880110 +1     2     1     3
  H     1.08896932 +1  119.8122853 +1  179.9995501 +1     3     2     4
  H     1.08934328 +1  120.0065978 +1 -179.9996633 +1     4     3     5
  H     1.08928636 +1  120.5627796 +1 -179.9959703 +1     5     4     6