Accuracy

osf3r   7554 Osmium(III) trifluoride (Geo)

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    #  Species Formula
  7544 Osmium pentacarbonyl (Geo)C5O5Os
  7545 Osmium pentacarbonylC5O5Os
  7546 Os(III)(H2O)6 d5 (Geo)H12O6Os
  7547 Os(II)(H2O)6H12O6Os
  7548 Os(II)(H2O)6 (Geo)H12O6Os
  7549 Osmium di-acetylacetonate dihydrate (Geo)C10H18O6Os
  7550 Osmium di-acetylacetonate dihydrateC10H18O6Os
  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 dichlorideOCl2Os
  7562 Osmium(IV) oxide dichloride (Geo)OCl2Os
  7563 Osmium(III) trichlorideCl3Os
  7564 cis-tetrachlorodifluoroosmate(v) OsCl4F2(-) (Geo)F2Cl4Os


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.
  
 UHF PM7
Osmium(III) trifluoride
 <Os-F> <Os-F'> <F-Os-F'> GR=PW91D GWT=0.5
 Os     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.91272400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.89767600 +1   99.7377750 +1    0.0000000 +0     1     2     0
  F     1.85351750 +1  167.6583893 +1 -179.1162210 +1     1     2     3