Back to Features of PM6
|
|
DHf: -203.4 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.
PULAY Molybdic acid (H2MoO4) H=-203.4 HR=NIST Mo 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 O 1.87289128 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 O 1.87260320 +1 107.7743739 +1 0.0000000 +0 1 2 0 0.0000 O 1.69363642 +1 109.9568086 +1 -119.7781370 +1 1 2 3 0.0000 O 1.69347243 +1 109.8510879 +1 119.5446855 +1 1 2 3 0.0000 H 0.93023051 +1 179.0420556 +1 -96.3442189 +1 2 1 3 0.0000 H 0.93011607 +1 179.1410330 +1 95.3612563 +1 3 1 2 0.0000