PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Iron, 3f(g) 3d(7)4s(1)
3314 Iron, 3F(g) 3d(7)4s(1)
(Previous)
(Back)
(Next)
For electronic state 1,3,F(G)
ΔHf: 34.3 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.
OPEN(8,6) TRIPLET MECI ALLVEC PM7
Iron, 3F(g) 3d(7)4s(1)
HR=NIST H=34.32 ROOT=1,3,F(G) HWT=1
Fe 0.00000000 +0 0.00000000 +0 0.00000000 +0