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

palladium(ii) diiodide   6111 Palladium(II) diiodide

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    #  Species Formula
  6101 Mo(Cp)2I2C10H10MoI2
  6102 Molybdenum(VI) dioxide diiodideO2MoI2
  6103 Molybdenum(VI) diiodide dioxide (Geo)O2MoI2
  6104 Ruthenium(IV) oxide diiodideORuI2
  6105 RuN2(CO)2I2 (TAWVUI) (Geo)C12H8N2O2RuI2
  6106 RuN2(CO)2I2 (TAWVUI)C12H8N2O2RuI2
  6107 Ru(CO)4I2 (FOJBIP) (Geo)C4O4RuI2
  6108 Ru(CO)4I2 (FOJBIP)C4O4RuI2
  6109 Ru(CO)4i2C4O4RuI2
  6110 Ru(CO)4i2 (Geo)C4O4RuI2
  6111 Palladium(II) diiodide PdI2
  6112 Pd(II)P2I2 (IMPPPD01) (Geo)C16H22P2PdI2
  6113 Cadmium diiodide (Geo)CdI2
  6114 Cd(II)N3I2 (JAQRUO) (Geo)C5H15N3CdI2
  6115 Cd(II)N3I2 (JAQRUO)C5H15N3CdI2
  6116 Cd(II)S2I2 (ZZZAWD01) (Geo)C2H8N4S2CdI2
  6117 Cd(II)S2I2 (ZZZAWD01)C2H8N4S2CdI2
  6118 In(III)I2N2C (DACJIA) (Geo)C8H21N2InI2
  6119 In(III)I2N2C (DACJIA)C8H21N2InI2
  6120 Tin diiodide (Geo)SnI2
  6121 Tin diiodideSnI2


ΔHf: 16.3 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.
Dipole: 2.4 Debye,     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.
I.P.: 6.0 eV,     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.
  
 PULAY SHIFT=80 PM7
Palladium(II) diiodide
 H=16.3 HR=PW91D D=2.38 DR=PW91D I=5.98 IR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.50786192 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.50700339 +1  179.8009654 +1  180.0000000 +0     1     2     0