PM7 Accuracy

1-chloronaphthalene   2362 1-Chloronaphthalene

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    #  Species Formula
  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 ChlorobenzeneC6H5Cl
  2359 Chlorobenzene (Geo)C6H5Cl
  2360 Benzyl chlorideC7H7Cl
  2361 1-Chloro-4-ethylbenzeneC8H9Cl
  2362 1-Chloronaphthalene C10H7Cl
  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
  2369 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2370 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2371 Chlorine oxideOCl
  2372 Chlorine monoxide (Geo)OCl


DHf: 27.5 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
1-Chloronaphthalene
 H=27.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.37146923  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.41691746  1  120.4589790  1    0.0000000  0     2     1     0
  C     1.37068293  1  120.2844013  1    0.0082399  1     3     2     1
  C     1.42210529  1  120.4272412  1    0.0078615  1     4     3     2
  C     1.42110995  1  120.3679927  1    0.0021589  1     1     2     3
  C     1.41828463  1  123.7005071  1  179.9979210  1     6     1     2
  C     1.36741746  1  123.2244999  1  179.9889898  1     7     6     1
  C     1.41705758  1  118.8190584  1   -0.0072005  1     8     7     6
  C     1.42328225  1  120.9645932  1 -179.9957863  1     5     4     3
 Cl     1.71190840  1  118.8278302  1   -0.0033141  1     7     6     1
  H     1.09055481  1  120.0978535  1  179.9967248  1     1     2     3
  H     1.08928516  1  120.6508313  1  179.9964880  1     2     1     6
  H     1.08920223  1  118.8635572  1 -179.9949313  1     3     2     1
  H     1.08883479  1  120.9198367  1  179.9984735  1     4     3     2
  H     1.09019566  1  121.9702201  1 -179.9990919  1     8     7     6
  H     1.08952365  1  118.7397386  1  179.9988974  1     9     8     7
  H     1.08957088  1  118.5053406  1   -0.0021135  1    10     5     4