Accuracy

mn(co)6r   3263 Manganese hexacarbonyl, cation (Geo)

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    #  Species Formula
  3253 Mn(CO)(NO)3 (Geo)CN3O4Mn
  3254 Mn(CO)5C5O5Mn
  3255 Mn(CO)5HHC5O5Mn
  3256 Mn(CO)5H (Geo)HC5O5Mn
  3257 Mn(CO)5CH3C6H3O5Mn
  3258 Mn(CO)5(C6H5)C11H5O5Mn
  3259 Mn(CO)5(C6H5CH2)C12H7O5Mn
  3260 Mn(II)(H2O)6H12O6Mn
  3261 Mn(H2O)6, 2+ion (Geo)H12O6Mn
  3262 Manganese hexacarbonyl, cationC6O6Mn
  3263 Manganese hexacarbonyl, cation (Geo) C6O6Mn
  3264 Mn(CO)5COCH3C7H3O6Mn
  3265 Mn(CO)5(C6H5CO)C12H5O6Mn
  3266 Mn(acac)3C15H21O6Mn
  3267 Mn(II)O4N2 (XOYHAU) (Geo)C12H12N2O6Mn
  3268 Mn(III)EDTA(-) (EDTMNK01) (Geo)C10H12N2O8Mn
  3269 Mn(III)EDTA(-) (EDTMNK01)C10H12N2O8Mn
  3270 Mn(III)O6(-) (KAMMND) (Geo)C6H8O10Mn
  3271 Mn(III)O6(-) (KAMMND)C6H8O10Mn
  3272 Manganese(I) fluorideFMn
  3273 Manganese(I) fluoride (Geo)FMn


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.
  
 CHARGE=1 PM7
Manganese hexacarbonyl, cation
 <Mn-C> GR=PW91D
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.90523900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.13890220 +1  179.9072306 +1    0.0000000 +0     2     1     0
  C     1.89263579 +1  179.9840006 +1    9.0862119 +1     1     2     3
  O     1.13888728 +1  179.9430549 +1  171.0165239 +1     4     1     2
  C     1.89279855 +1   89.9709589 +1 -119.7273523 +1     1     2     3
  O     1.13888829 +1  134.8433177 +1  179.7338325 +1     6     2     1
  C     1.89284778 +1   89.9833101 +1 -179.8410580 +1     1     2     6
  O     1.13889880 +1  134.9553607 +1 -179.8045174 +1     8     2     1
  C     1.89280225 +1   89.9625998 +1   89.9436449 +1     1     2     8
  O     1.13886231 +1  134.8051911 +1 -179.9671273 +1    10     2     1
  C     1.89284580 +1   89.9878434 +1  179.9594051 +1     1     2    10
  O     1.13891192 +1  134.9858200 +1  179.9321212 +1    12     2     1