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

methyl rubidium   4454 Methyl rubidium

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    #  Species Formula
  4444 Krypton Lithium, cation (Geo)LiKr
  4445 Krypton fluoride anion (Geo)FKr
  4446 Krypton sodium, cation (Geo)NaKr
  4447 Krypton chloride, anion (Geo)ClKr
  4448 Krypton potassium cation (Geo)KKr
  4449 Krypton bromide, anion (Geo)BrKr
  4450 Rubidium, cationRb
  4451 Rubidium, atomRb
  4452 Rubidium hydride (Geo)HRb
  4453 Methyl rubidium (Geo)CH3Rb
  4454 Methyl rubidium CH3Rb
  4455 Rubidium cyclopentadienide (Geo)C5H5Rb
  4456 Rubidium hydroxide (Geo)HORb
  4457 RbBO2BO2Rb
  4458 RbBO2 (Geo)BO2Rb
  4459 Rb(I)O4N2(+) (CAGFIA) (Geo)C16H26N2O5Rb
  4460 Rb(I)O6(+) (CABJAR) (Geo)C12H24O6Rb
  4461 Rb(I)(Cp)O6 (QEXTIW) (Geo)C17H29O6Rb
  4462 Rb(I)O6(C4N) (YAKWUD) (Geo)C16H28NO6Rb
  4463 Rb(I)O6N (IMAWAU) (Geo)C20H30NO6Rb
  4464 Rb(I)O6N2(+) (EHENAG) (Geo)C18H36N2O6Rb


ΔHf: 23.7 kcal/mol,     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
Methyl rubidium
 H=23.7 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Rb     2.88866445 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.05049116 +1  101.4461533 +1    0.0000000 +0     1     2     0
  H     1.05049235 +1  101.3675981 +1  120.0006449 +1     1     2     3
  H     1.05050738 +1  101.3970500 +1  119.9789863 +1     1     2     4