Accuracy

reh3r   7415 ReH3 (Geo)

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    #  Species Formula
  7405 WC3I2P (BOGBII) (Geo)C7H9O4PI2W
  7406 Tungsten(VI) hexaiodide (Geo)I6W
  7407 W2(CO)10 dianion (Geo)C10O10W2
  7408 W2(CO)10 dianionC10O10W2
  7409 W(IV)2Cl4O6 (BAKFAU)C6H18O6Cl4W2
  7410 W(IV)2Cl4O6 (BAKFAU) (Geo)C6H20O6Cl4W2
  7411 WF6(2-) (JUTPET) (Geo)F18W4
  7412 Rhenium, cationRe
  7413 Rhenium, atomRe
  7414 ReH3H3Re
  7415 ReH3 (Geo) H3Re
  7416 Re(III)(Cp)2(+) (DAXJIV) (Geo)C10H10Re
  7417 Re(III)(Cp)2(+) (DAXJIV)C10H10Re
  7418 Re(C5H5)(C6H6)C11H11Re
  7419 Re(C5H5)(C6H6) (Geo)C11H11Re
  7420 Re(II)(NH3)6H18N6Re
  7421 Re(II)(NH3)6 (Geo)H18N6Re
  7422 Re(VI)(Me)4O (MOTVIA) (Geo)C4H12ORe
  7423 Re(VI)(Me)4O (MOTVIA)C4H12ORe
  7424 Re(VI)C2O2 (FOHYEG) (Geo)C18H22O2Re
  7425 Re(VI)C2O2 (FOHYEG)C18H22O2Re


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 SHIFT=90 PULAY PM7
ReH3
 <Re-H> GR=PW91D
 Re     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.64891800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.64174546 +1  126.5944376 +1    0.0000000 +0     1     2     0
  H     1.77906825 +1   29.5030576 +1 -101.7115876 +1     1     2     3