Back to Features of PM6
|
|
DHf: 430.6 kcal/mol, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
CHARGE=1 OPEN(1,3) Carbon, cation HR=NIST H=430.64 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0 0.0000