PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
mercury dibromide
7951 Mercury dibromide
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ΔHf: -20.4 kcal/mol, REF: D. R. Stull, H. Prophet, Natl. Stand., Ref. Data Ser. (U.S., Natl. Bur. Stand.) NSRDS-NBS 37, 1971.
Dipole: 0.9 Debye, REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 10.6 eV, REF: J. H. D. Elan, Int. J. Mass Spect. Ion Phys. 4, 37 (1970).
PM7
Mercury dibromide
H=-20.4 I=10.62 IR=E1970 HR=JANAF D=0.95 DR=CRC
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Hg 2.36929153 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.36929153 +1 179.9990863 +1 0.0000000 +0 2 1 0