PM7 Accuracy

3-chloro-4-methylaniline   2367 3-Chloro-4-methylaniline

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    #  Species Formula
  2357 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2358 ChlorobenzeneC6H5Cl
  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-methylaniline C7H8NCl
  2368 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2369 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2370 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2371 Chlorine oxideOCl
  2372 Chlorine monoxide (Geo)OCl
  2373 Hypochlorous acidHOCl
  2374 Lithium oxychloride (Geo)LiOCl
  2375 Lithium hypochloriteLiOCl
  2376 LiCl.H2OH2LiOCl
  2377 LiCl.H2O (Geo)H2LiOCl


DHf: 4.0 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
3-Chloro-4-methylaniline
 H=4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40990026  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38749118  1  119.9852856  1    0.0000000  0     2     1     0
  C     1.40023026  1  121.1965792  1    0.4349848  1     3     2     1
  C     1.39184840  1  117.3351282  1   -0.1872390  1     4     3     2
  C     1.40761858  1  119.8248719  1   -0.4723457  1     1     2     3
  N     1.38975962  1  120.1318013  1  176.4594426  1     1     2     3
 Cl     1.71527199  1  119.1188603  1  179.9759191  1     5     4     3
  C     1.48778199  1  120.8647792  1  179.9084249  1     4     3     2
  H     1.08578752  1  119.9316149  1 -179.8324499  1     2     1     6
  H     1.09062597  1  119.4904671  1 -179.6896847  1     3     2     1
  H     1.08625880  1  120.5739095  1  179.7645717  1     6     1     2
  H     0.99778035  1  119.0766974  1  167.6929068  1     7     1     2
  H     0.99741253  1  119.0640458  1   16.8774851  1     7     1     2
  H     1.10168832  1  111.5401158  1  119.7726922  1     9     4     3
  H     1.09810022  1  112.5690999  1   -0.3833945  1     9     4     3
  H     1.10157408  1  111.5969658  1 -120.5777399  1     9     4     3