Accuracy

osmium(iv) oxide dichloride   7561 Osmium(IV) oxide dichloride

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    #  Species Formula
  7551 OsO4N2 (BABWAC) (Geo)C4H8N2O6Os
  7552 Osmium(IV) oxide difluorideOF2Os
  7553 Osmium(IV) oxide difluoride (Geo)OF2Os
  7554 Osmium(III) trifluoride (Geo)F3Os
  7555 Os(III)F6 d5 (Geo)F6Os
  7556 Os(CO)4(PEt3)C10H15O4POs
  7557 Os(CO)4(PEt3) (Geo)C10H15O4POs
  7558 Os(Cp)NP2(2+) (BELNOV) (Geo)C11H23NOP2Os
  7559 Os(C6H6)CNCl (BEDYUF) (Geo)C17H14NClOs
  7560 [Os(NH3)5Cl]++ (Geo)H15N5ClOs
  7561 Osmium(IV) oxide dichloride OCl2Os
  7562 Osmium(IV) oxide dichloride (Geo)OCl2Os
  7563 Osmium(III) trichlorideCl3Os
  7564 cis-tetrachlorodifluoroosmate(v) OsCl4F2(-) (Geo)F2Cl4Os
  7565 Os(III)Cl6 d5 (Geo)Cl6Os
  7566 Osmium(IV) oxide dibromideOBr2Os
  7567 Osmium(IV) oxide dibromide (Geo)OBr2Os
  7568 Osmium(III) tribromideBr3Os
  7569 Os(CO)4F2 (BEDKEB) (Geo)C4O4F12Sb2Os
  7570 Os(CO)3(C3H5)IC6H5O3IOs
  7571 Os(CO)3(C3H5)I (Geo)C6H5O3IOs


ΔHf: 3.8 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: 0.3 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.: 3.0 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.
  
 PM7
Osmium(IV) oxide dichloride
 I=3.024 IR=PW91D D=0.346 DR=PW91D H=3.8 HR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.68186344 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.27150039 +1  135.1528109 +1    0.0000000 +0     1     2     0
 Cl     2.27070213 +1  130.1533837 +1  179.8576620 +1     1     2     3