Back to Features of PM6
|
|
|
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).
OPEN(2,2) TRIPLET SYMMETRY Methylene, triplet GR=JANAF86 <C-H> <H-C-H> H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.02900000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 H 1.01800369 +0 136.0000000 +1 0.0000000 +0 2 1 0 0.0000