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

2-iodonaphthalene   5840 2-Iodonaphthalene

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    #  Species Formula
  5830 2-Iodo-2-methylpropaneC4H9I
  5831 Iodobenzene (Geo)C6H5I
  5832 IodobenzeneC6H5I
  5833 IodocyclohexaneC6H11I
  5834 Benzyl iodideC7H7I
  5835 m-IodotolueneC7H7I
  5836 o-IodotolueneC7H7I
  5837 ortho IodotolueneC7H7I
  5838 p-IodotolueneC7H7I
  5839 1-IodonaphthaleneC10H7I
  5840 2-Iodonaphthalene C10H7I
  5841 Cyanogen iodideCNI
  5842 Li(I)N3I (JEPRUR) (Geo)H15LiC15N3I
  5843 Li(I)N3I (JEPRUR)H15LiC15N3I
  5844 Iodine oxideOI
  5845 Acetyl iodideC2H3OI
  5846 Iodomethyl methyl etherC2H5OI
  5847 1-Iodo-2-propanoneC3H5OI
  5848 3-Iodo-2-butanoneC4H7OI
  5849 Benzoyl iodideC7H5OI
  5850 Nitrosyl iodideNOI


ΔHf: 56.2 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
2-Iodonaphthalene
 H=56.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41174453 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42253710 +1  119.3256543 +1    0.0000000 +0     1     2     0
  C     1.37079857 +1  120.2957043 +1    0.0019154 +1     3     1     2
  C     1.42228181 +1  119.2965559 +1   -0.0065097 +1     2     1     3
  C     1.41804173 +1  120.3862549 +1   -0.0057490 +1     4     3     1
  C     1.42302124 +1  119.5242804 +1  179.9986175 +1     1     2     5
  C     1.36915594 +1  119.3662793 +1   -0.0016657 +1     7     1     2
  C     1.42208807 +1  119.2621255 +1  179.9836562 +1     2     1     3
  C     1.41520065 +1  121.8407774 +1   -0.0094056 +1     8     7     1
  I     2.11580565 +1  119.6622440 +1  179.9924643 +1     8     7     1
  H     1.08900106 +1  118.7701157 +1 -179.9926953 +1     3     1     2
  H     1.08903943 +1  120.8007039 +1  179.9999496 +1     4     3     1
  H     1.08884884 +1  118.7143616 +1 -179.9966122 +1     5     2     1
  H     1.08896052 +1  118.8023363 +1  179.9970933 +1     6     4     3
  H     1.09048913 +1  117.9675406 +1 -179.9984969 +1     7     1     2
  H     1.09027861 +1  118.6905970 +1  179.9947008 +1     9     2     1
  H     1.09048707 +1  120.6889191 +1 -179.9999926 +1    10     8     7