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

os(iii)f6 d5_r   7556 Os(III)F6 d5 (Geo)

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    #  Species Formula
  7546 Osmium pentacarbonylC5O5Os
  7547 Os(III)(H2O)6 d5 (Geo)H12O6Os
  7548 Os(II)(H2O)6H12O6Os
  7549 Os(II)(H2O)6 (Geo)H12O6Os
  7550 Osmium di-acetylacetonate dihydrate (Geo)C10H18O6Os
  7551 Osmium di-acetylacetonate dihydrateC10H18O6Os
  7552 OsO4N2 (BABWAC) (Geo)C4H8N2O6Os
  7553 Osmium(IV) oxide difluorideOF2Os
  7554 Osmium(IV) oxide difluoride (Geo)OF2Os
  7555 Osmium(III) trifluoride (Geo)F3Os
  7556 Os(III)F6 d5 (Geo) F6Os
  7557 Os(CO)4(PEt3)C10H15O4POs
  7558 Os(CO)4(PEt3) (Geo)C10H15O4POs
  7559 Os(Cp)NP2(2+) (BELNOV) (Geo)C11H23NOP2Os
  7560 Os(C6H6)CNCl (BEDYUF) (Geo)C17H14NClOs
  7561 [Os(NH3)5Cl]++ (Geo)H15N5ClOs
  7562 Osmium(IV) oxide dichlorideOCl2Os
  7563 Osmium(IV) oxide dichloride (Geo)OCl2Os
  7564 Osmium(III) trichlorideCl3Os
  7565 cis-tetrachlorodifluoroosmate(v) OsCl4F2(-) (Geo)F2Cl4Os
  7566 Os(III)Cl6 d5 (Geo)Cl6Os


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.
  
 OPEN(5,5) CHARGE=-3 PULAY SHIFT=80 SYMMETRY PM7
Os(III)F6 d5
 <Os-F> GR=PW91D
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.26600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.26600000 +1   90.0000000 +1    0.0000000 +0     1     2     0
  F     2.26600000 +1   90.0000000 +1  180.0000000 +1     1     2     3
  F     2.26600000 +1  180.0000000 +1    0.0000000 +1     1     2     3
  F     2.26600000 +1   90.0000000 +1   90.0000000 +1     1     2     3
  F     2.26600000 +1   90.0000000 +1  -90.0000000 +1     1     2     3