PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1-chloronaphthalene   2360 1-Chloronaphthalene

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  2350 2-Chloro-2-methylpropaneC4H9Cl
  2351 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2352 1-ChloropentaneC5H11Cl
  2353 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2354 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2355 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2356 ChlorobenzeneC6H5Cl
  2357 Chlorobenzene (Geo)C6H5Cl
  2358 Benzyl chlorideC7H7Cl
  2359 1-Chloro-4-ethylbenzeneC8H9Cl
  2360 1-Chloronaphthalene C10H7Cl
  2361 2-ChloronaphthaleneC10H7Cl
  2362 Cyanogen Chloride (Geo)CNCl
  2363 Cyanogen chlorideCNCl
  2364 Cyanogen chloride (Geo)CNCl
  2365 3-Chloro-4-methylanilineC7H8NCl
  2366 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2367 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2368 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2369 Chlorine oxideOCl
  2370 Chlorine monoxide (Geo)OCl


ΔHf: 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