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

irofr   7603 Iridium(III) oxide fluoride (Geo)

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    #  Species Formula
  7593 Iridium pentacarbonyl, cationC5O5Ir
  7594 Iridium(III) hexaquo (Geo)H12O6Ir
  7595 Iridium(III) hexaquoH12O6Ir
  7596 Ir(II)(H2O)6H12O6Ir
  7597 Ir(II)(H2O)6 (Geo)H12O6Ir
  7598 Ir(CO)6(3+) (XOLYIG) (Geo)C6O6Ir
  7599 Ir(III)O6 (QQQCXJ01) (Geo)C15H21O6Ir
  7600 Ir(III)(ox)3 (Geo)C6O12Ir
  7601 Iridium(I) fluorideFIr
  7602 Iridium(III) oxide fluorideOFIr
  7603 Iridium(III) oxide fluoride (Geo) OFIr
  7604 Iridium hexafluoride (Geo)F6Ir
  7605 Ir(III)F6 d6 (Geo)F6Ir
  7606 Ir(C6F6)(Cp) (PADLUB) (Geo)C11H5F6Ir
  7607 Ir(C6F6)(C2H4)(Cp) (PADLOV) (Geo)C13H9F6Ir
  7608 Ir(III)S6 (EDTCIR) (Geo)C15H30N3S6Ir
  7609 Iridium(I) chloride (Geo)ClIr
  7610 Iridium(I) chlorideClIr
  7611 IrC8Cl (CBUTIR) (Geo)C8H12ClIr
  7612 Iridium(III) oxide chlorideOClIr
  7613 Iridium(III) oxide chloride (Geo)OClIr


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.
  
 PM7
Iridium(III) oxide fluoride
 <Ir-O> <Ir-F> GR=PW91D
 Ir     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.72763500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.89828700 +1  179.9398268 +1    0.0000000 +0     1     2     0