Accuracy

1,2-diiodobenzene   1944 1,2-Diiodobenzene

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    #  Species Formula
  1934 DiiodoacetyleneC2I2
  1935 E-1,2-Diiodoethylene (Geo)C2H2I2
  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-Diiodobenzene C6H4I2
  1945 1,2-Diiodobenzene (Geo)C6H4I2
  1946 5,7-Diiodo-8-hydroxyquinolineC9H5NOI2
  1947 1,2 DiiodotetrafluoroethaneC2F4I2
  1948 Iodoform (Geo)HCI3
  1949 IodoformHCI3
     1 Hydrogen, atomH
     2 Hydrogen (Geo)H2
     3 HydrogenH2
     4 Carbon, atomC
     5 MethylidyneHC


ΔHf: 60.0 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.
  
 PULAY
1,2-Diiodobenzene
 H=60.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39254328 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39704795 +1  119.8494056 +1    0.0000000 +0     2     1     0
  C     1.39205261 +1  120.1759404 +1    0.0064078 +1     3     2     1
  C     1.39288237 +1  119.9626725 +1    0.0004508 +1     4     3     2
  C     1.39190841 +1  119.9759930 +1   -0.0035081 +1     5     4     3
  I     2.12110129 +1  124.1160634 +1  179.9891038 +1     1     2     3
  I     2.12103274 +1  124.1302196 +1 -179.9947173 +1     2     1     3
  H     1.09257529 +1  121.3206935 +1  179.9975334 +1     3     2     4
  H     1.09034926 +1  119.8942287 +1  179.9990718 +1     4     3     5
  H     1.09038926 +1  120.1182301 +1 -179.9981696 +1     5     4     6
  H     1.09256377 +1  118.5335418 +1 -179.9982570 +1     6     5     4