PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
iodine bromide
5954 Iodine bromide
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ΔHf: 9.8 kcal/mol, 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).
Dipole: 0.7 Debye, REF: K. P. R. Nair, Kemiai Kozl 52, 431 (1979).
I.P.: 9.9 eV, REF: K. H. Hellwege, A. M. Hellwege, Eds. "Molecular Constants from Microwave Spectroscopy," Landolt-Bornstein, New Series II; Springer-Verlag; Berlin, Vol. 4, (1967).
PM7
Iodine bromide
I=9.85 H=9.77 HR=JANAF86 DR=NKK1979 IR=HH1967 D=0.737 S=61.85 CP=8.70
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.46989394 +1 0.0000000 +0 0.0000000 +0 1 0 0