Accuracy

cs2i3 anion   6336 Cs2I3 anion

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    #  Species Formula
  6326 Cs2S4 (JUPQIU) (Geo)C16H14S4Cs2
  6327 Cesium chloride, dimerCl2Cs2
  6328 Cesium chloride, dimer (Geo)Cl2Cs2
  6329 Cesium bromide, dimerBr2Cs2
  6330 Cesium bromide, dimer (Geo)Br2Cs2
  6331 Cesium iodide, dimerI2Cs2
  6332 Cesium iodide, dimer (Geo)I2Cs2
  6333 Cs(I)O6I2 (XIDBUH) (Geo)C24H48O12I2Cs2
  6334 CsO6I2 (NELMEW) (Geo)C24H48O12I2Cs2
  6335 CsO6I2 (NELMEW)C24H48O12I2Cs2
  6336 Cs2I3 anion I3Cs2
  6337 Cs(I)O3 (QQQAWS01) (Geo)C16H36O4Cs4
  6338 Cs(I)O3 (QQQAWS01)C16H36O4Cs4
  6339 Barium, dicationBa
  6340 Barium, cationBa
  6341 Barium, atomBa
  6342 Ba(II)N6(2+) (BINDAD10) (Geo)C8H32N8Ba
  6343 Ba(II)N8(2+) (SARNAA) (Geo)C8H32N8Ba
  6344 Barium oxide (Geo)OBa
  6345 Barium oxideOBa
  6346 Ba(II)O4N4 (ZUTGAW) (Geo)C34H70N4O4Ba


ΔHf: -181.5 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.
  
 SYMMETRY CHARGE=-1 PULAY PM7
Cs2I3 anion
 H=-181.5 HR=NIST
 
 Cs     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     3.87539263 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cs     3.87539263 +0  180.0000000 +0    0.0000000 +0     2     1     0
  I     3.60133238 +1  180.0000000 +0    0.0000000 +0     3     2     1
  I     3.60133238 +0  180.0000000 +0    0.0000000 +0     1     2     3
 
   2  1    3
   4  1    5