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

osmium(iii) triiodide   7577 Osmium(III) triiodide

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    #  Species Formula
  7567 Osmium(IV) oxide dibromideOBr2Os
  7568 Osmium(IV) oxide dibromide (Geo)OBr2Os
  7569 Osmium(III) tribromideBr3Os
  7570 Os(CO)4F2 (BEDKEB) (Geo)C4O4F12Sb2Os
  7571 Os(CO)3(C3H5)IC6H5O3IOs
  7572 Os(CO)3(C3H5)I (Geo)C6H5O3IOs
  7573 Osmium(IV) oxide diiodideOI2Os
  7574 Osmium(IV) oxide diiodide (Geo)OI2Os
  7575 Os(CO)4I2C4O4I2Os
  7576 Os(CO)4I2 (Geo)C4O4I2Os
  7577 Osmium(III) triiodide I3Os
  7578 Tetraiodo-fluoro-nitrosyl-osmium, dianion OsI4F(NO)(=) (Geo)NOFI4Os
  7579 Os2(C8H8)(CO)6C14H8O6Os2
  7580 Os2(C8H8)(CO)6 (Geo)C14H8O6Os2
  7581 Iridium, cationIr
  7582 Iridium, atomIr
  7583 Ir(II)(NH3)6H18N6Ir
  7584 Ir(II)(NH3)6 (Geo)H18N6Ir
  7585 Iridium(III) hexacyanide (Geo)C6N6Ir
  7586 Iridium(III) hexacyanideC6N6Ir
  7587 Ir(Cp)(CO)2 (WAMWEM) (Geo)C12H15O2Ir


ΔHf: 83.5 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 UHF RELSCF=10 PM7
Osmium(III) triiodide
 H=83.5 HR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.68029502 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.67997284 +1  100.7339901 +1    0.0000000 +0     1     2     0
  I     2.67898599 +1  100.9237147 +1  103.3531216 +1     1     2     3