Accuracy

lithium dimer     13 Lithium dimer

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
     3 Hydrogen (Geo)H2
     4 HydrogenH2
     5 Helium, atomHe
     6 Lithium, cationLi
     7 Lithium, 2P(u) 2s(0) 2p(1)Li
     8 Lithium, atomLi
     9 Lithium hydride (Geo)HLi
    10 Lithium hydrideHLi
    11 Helium lithium cation (Geo)HeLi
    12 Lithium, dimer (Geo)Li2
    13 Lithium dimer Li2
    14 Beryllium, atomBe
    15 Beryllium hydride, cation (Geo)HBe
    16 Beryllium hydride, cationHBe
    17 Beryllium hydride (Geo)HBe
    18 Beryllium hydrideHBe
    19 Beryllium dihydrideH2Be
    20 LiBeH (Geo)HLiBe
    21 Lithium beryllium hydrideHLiBe
    22 Beryllium, dimerBe2
    23 Boron, cationB


ΔHf: 51.6 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
I.P.: 4.9 eV,     REF: C. H. Wu, J. Chem. Phys., 91, 546 (1989).
  
 OPEN(2,8) PM7
Lithium dimer
 H=51.60 I=4.86 HR=WEPS1982 IR=CHW1989 IWT=0.1
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Li     1.84108609 +1    0.0000000 +0    0.0000000 +0     1     0     0