Accuracy

5,7-diiodo-8-hydroxyquinoline   1946 5,7-Diiodo-8-hydroxyquinoline

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    #  Species Formula
  1936 Z-1,2-Diiodoethylene (Geo)C2H2I2
  1937 E-1,2-DiiodoetheneC2H2I2
  1938 Z-1,2-DiiodoetheneC2H2I2
  1939 1,2-DiiodoethaneC2H4I2
  1940 1,2-DiiodopropaneC3H6I2
  1941 1,3-DiiodopropaneC3H6I2
  1942 1,2-DiiodobutaneC4H8I2
  1943 1,4-DiiodobutaneC4H8I2
  1944 1,2-DiiodobenzeneC6H4I2
  1945 1,2-Diiodobenzene (Geo)C6H4I2
  1946 5,7-Diiodo-8-hydroxyquinoline C9H5NOI2
  1947 1,2 DiiodotetrafluoroethaneC2F4I2
  1948 Iodoform (Geo)HCI3
  1949 IodoformHCI3
     1 Hydrogen, atomH
     2 Hydrogen (Geo)H2
     3 HydrogenH2
     4 Carbon, atomC
     5 MethylidyneHC
     6 Methylene, singlet (Geo)CH2
     7 Methylene, triplet (Geo)CH2


ΔHf: 52.6 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.
  

5,7-Diiodo-8-hydroxyquinoline
 H=52.65 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.37027538 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41485570 +1  120.6182879 +1    0.0000000 +0     2     1     0
  C     1.37773733 +1  120.1169488 +1   -0.0130157 +1     3     2     1
  C     1.44729632 +1  119.8416039 +1   -0.0112815 +1     4     3     2
  C     1.41921659 +1  119.8081897 +1    0.0132859 +1     5     4     3
  C     1.42346729 +1  116.4621299 +1 -179.9827407 +1     6     5     4
  C     1.37128428 +1  120.3033220 +1    0.0067005 +1     7     6     5
  C     1.42383185 +1  118.8994838 +1    0.0016447 +1     8     7     6
  N     1.32037835 +1  122.5626585 +1    0.0196457 +1     9     8     7
  I     2.11768982 +1  117.3636390 +1 -179.9642798 +1     1     2     3
  I     2.11392189 +1  116.7936692 +1  179.9951866 +1     3     2     4
  O     1.34333486 +1  127.7929561 +1 -179.9948831 +1     4     3     5
  H     1.09669588 +1  120.7196635 +1  179.9822790 +1     2     1     3
  H     1.09070313 +1  120.3679337 +1  179.9938914 +1     7     6     8
  H     1.08759727 +1  121.6291088 +1 -179.9976284 +1     8     7     9
  H     1.09784843 +1  120.8964200 +1 -179.9932604 +1     9     8    10
  H     0.99442736 +1  113.7285134 +1   -0.0068362 +1    13     4     3