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

manganese(ii) oxide   3239 Manganese(II) oxide

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3229 Cr(II)2O10(0) (ACETCR) (Geo)C12H20O12Cr2
  3230 Cr(III)2Cl9 (ZEBRON) (Geo)Cl9Cr2
  3231 Trichromate ion (Geo)O10Cr3
  3232 Manganese, cationMn
  3233 Manganese, atomMn
  3234 Bicyclopentadienyl manganeseC10H10Mn
  3235 Manganese(III) nitrideNMn
  3236 Manganese(III) nitride (Geo)NMn
  3237 Mn(II)(NH3)6H18N6Mn
  3238 Mn(II)(NH3)6 (Geo)H18N6Mn
  3239 Manganese(II) oxide OMn
  3240 Manganese(II) oxide (Geo)OMn
  3241 Mn(CO)C8 (BUTMNC) (Geo)C9H12OMn
  3242 Mn(CO)C8 (BUTMNC)C9H12OMn
  3243 Manganese (IV) dioxide, anionO2Mn
  3244 Manganese (V) trioxideO3Mn
  3245 Methyl manganese(VI) trioxide (Geo)CH3O3Mn
  3246 Cyclopentadienyl manganese tricarbonylC8H5O3Mn
  3247 Mn(CO)3Cp (CPMNCO) (Geo)C8H5O3Mn
  3248 Mn(CO)3C5 (HEXMNC) (Geo)C9H7O3Mn
  3249 Mn(CO)3C5 (HEXMNC)C9H7O3Mn


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.: 5.1 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 PM7
Manganese(II) oxide
 I=5.075 IR=PW91D D=3.819 DR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Mn     1.62994938 +1    0.0000000 +0    0.0000000 +0     1     0     0