Accuracy

Rb(Cp)r   4453 Rubidium cyclopentadienide (Geo)

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    #  Species Formula
  4443 Krypton fluoride anion (Geo)FKr
  4444 Krypton sodium, cation (Geo)NaKr
  4445 Krypton chloride, anion (Geo)ClKr
  4446 Krypton potassium cation (Geo)KKr
  4447 Krypton bromide, anion (Geo)BrKr
  4448 Rubidium, cationRb
  4449 Rubidium, atomRb
  4450 Rubidium hydride (Geo)HRb
  4451 Methyl rubidium (Geo)CH3Rb
  4452 Methyl rubidiumCH3Rb
  4453 Rubidium cyclopentadienide (Geo) C5H5Rb
  4454 Rubidium hydroxide (Geo)HORb
  4455 RbBO2BO2Rb
  4456 RbBO2 (Geo)BO2Rb
  4457 Rb(I)O4N2(+) (CAGFIA) (Geo)C16H26N2O5Rb
  4458 Rb(I)O6(+) (CABJAR) (Geo)C12H24O6Rb
  4459 Rb(I)(Cp)O6 (QEXTIW) (Geo)C17H29O6Rb
  4460 Rb(I)O6(C4N) (YAKWUD) (Geo)C16H28NO6Rb
  4461 Rb(I)O6N (IMAWAU) (Geo)C20H30NO6Rb
  4462 Rb(I)O6N2(+) (EHENAG) (Geo)C18H36N2O6Rb
  4463 Rb(0)O6N2 (EBEWOX) (Geo)C18H36N2O6Rb


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.
  
 PM7
Rubidium cyclopentadienide
 <Rb-C> GR=PW91D
 Rb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     3.08656800 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.41920484 +1   82.9518004 +1    0.0000000 +0     2     1     0
  C     1.41259200 +1  107.8722885 +1   77.9645325 +1     3     2     1
  C     1.41426894 +1  108.1486694 +1    1.2677644 +1     4     3     2
  C     1.41256565 +1  108.2051885 +1   -0.0941757 +1     5     4     3
  H     1.06431156 +1  107.6548261 +1 -125.4667378 +1     2     1     3
  H     1.06394405 +1  125.8375293 +1  177.2220562 +1     3     2     4
  H     1.06373666 +1  125.9428427 +1  177.4596689 +1     4     3     5
  H     1.06374120 +1  125.8119652 +1  177.3600287 +1     5     4     6
  H     1.06372446 +1  126.2458573 +1  175.7887233 +1     6     5     4