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

rhodium(ii) oxide   5118 Rhodium(II) oxide

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    #  Species Formula
  5108 Rhodium, cationRh
  5109 Rhodium, atomRh
  5110 Rhodium(III) hexacyanide (Geo)C6N6Rh
  5111 Rhodium(III) hexacyanideC6N6Rh
  5112 Rh(III)N6(3+) (CRHENC) (Geo)C6H24N6Rh
  5113 Rh(III)N6(3+) (CRHENC)C6H24N6Rh
  5114 Rh(III)N6(3+) (VENYAO) (Geo)C12H18N6Rh
  5115 Rh(III)N6(3+) (VENYAO)C12H18N6Rh
  5116 Rh(III)N6(3+) (HOHKEU) (Geo)C12H30N6Rh
  5117 Rh(III)N6(3+) (HOHKEU)C12H30N6Rh
  5118 Rhodium(II) oxide ORh
  5119 Rhodium(II) oxide (Geo)ORh
  5120 Rh(III)N6(3+) (LEJCUY) (Geo)C18H39N7O2Rh
  5121 Rhodium tetracarbonyl, anion (Geo)C4O4Rh
  5122 Rhodium tetracarbonyl, anionC4O4Rh
  5123 Rh(III)N6 (GOYRER) (Geo)C24H16N6O4Rh
  5124 Rhodium pentacarbonyl, cation (Geo)C5O5Rh
  5125 Rhodium pentacarbonyl, cationC5O5Rh
  5126 Rhodium(III) hexaquo (Geo)H12O6Rh
  5127 Rh(II)(H2O)6H12O6Rh
  5128 Rh(II)(H2O)6 (Geo)H12O6Rh


ΔHf: 121.0 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: 3.8 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.: 5.3 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.
  
 MECI ALLVECS OPEN(7,5) PM7
Rhodium(II) oxide
 I=5.338 IR=PW91D D=3.772 DR=PW91D H=121.0 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.76978402 +1    0.0000000 +0    0.0000000 +0     1     0     0