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

lithium acetylide     72 Lithium acetylide

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    #  Species Formula
    62 VinylC2H3
    63 Ethylene, cationC2H4
    64 Ethylene (Geo)C2H4
    65 EthyleneC2H4
    66 MethylmethyleneC2H4
    67 Ethyl, cationC2H5
    68 Ethyl radicalC2H5
    69 Ethane (Geo)C2H6
    70 EthaneC2H6
    71 Lithium acetylide (Geo)HLiC2
    72 Lithium acetylide HLiC2
    73 LiCH=CH2H3LiC2
    74 Ethyl lithiumH5LiC2
    75 Ethyl lithium (Geo)H5LiC2
    76 Dimethylberyllium (Geo)H6BeC2
    77 DimethylberylliumH6BeC2
    78 C2B4H6C2H6B4
    79 C2B4H6 (Geo)C2H6B4
    80 Carbon, trimerC3
    81 Cyclopropenyl, cationC3H3
    82 Propynyl, cationC3H3


ΔHf: 64.9 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 6.1 Debye,     REF: E. Anders, R. Koch, and P. Freunscht, J. Comp. Chem., 14, 1301-1312 (1993).
  
 PM7
Lithium acetylide
 D=6.08 DR=AKF1993 H=64.9 HR=JANAF86
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.89898176 +1    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20806406 +1  180.0000000 +0    0.0000000 +0     2     1     0
  H     1.02290216 +1  180.0000000 +0    0.0000000 +0     3     2     1