Back to Features of PM6
|
|
DHf: 142.4 kcal/mol, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
OPEN(1,1) Methylidyne H=142.4 HR=LLNBS82 XX 1.00000000 +0 0.0000000 +0 0.0000000 +0 C 1.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 H 1.07486278 +1 90.0000000 +0 0.0000000 +0 2 1 0 0.0000