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

1-iodonaphthalene   5839 1-Iodonaphthalene

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    #  Species Formula
  5829 1-Butyl iodideC4H9I
  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-Iodonaphthalene C10H7I
  5840 2-IodonaphthaleneC10H7I
  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


ΔHf: 55.9 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-Iodonaphthalene
 H=55.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.41747853 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.42350497 +1  117.9101150 +1    0.0000000 +0     1     2     0
  C     1.37145646 +1  121.1532482 +1   -0.0009268 +1     3     1     2
  C     1.42272620 +1  119.9509302 +1   -0.0064943 +1     2     1     3
  C     1.41557138 +1  120.5666397 +1   -0.0093266 +1     4     3     1
  C     1.42421676 +1  117.2607398 +1  179.9941610 +1     1     2     5
  C     1.37146597 +1  121.9298010 +1    0.0050714 +1     7     1     2
  C     1.42218876 +1  120.2867289 +1  179.9680115 +1     2     1     3
  C     1.41625764 +1  119.9431399 +1   -0.0129946 +1     8     7     1
  I     2.12111454 +1  121.1325936 +1 -179.9870640 +1     7     1     2
  H     1.08935035 +1  120.1856982 +1 -179.9898516 +1     3     1     2
  H     1.08961711 +1  120.5595664 +1 -179.9977639 +1     4     3     1
  H     1.08935771 +1  118.5483220 +1 -179.9906318 +1     5     2     1
  H     1.08880747 +1  119.0914632 +1  179.9956762 +1     6     4     3
  H     1.09158453 +1  122.5103215 +1  179.9877091 +1     8     7     1
  H     1.08987723 +1  118.6890653 +1  179.9870905 +1     9     2     1
  H     1.08957603 +1  118.7593637 +1  179.9990031 +1    10     8     7