PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
iodine, atom
5813 Iodine, atom
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Species
Formula
5803
TeBr6(=)
Br6Te
5804
TeBr6(=) (Geo)
Br6Te
5805
Indium(I) telluride (Geo)
In2Te
5806
Tin telluride (Geo)
SnTe
5807
Tin telluride
SnTe
5808
Tellurium, dimer (Geo)
Te2
5809
Bis(pentafluorotellurium)oxide (Geo)
OF10Te2
5810
Te4Cl16
Cl16Te4
5811
Te4Cl16 (Geo)
Cl16Te4
5812
Iodine, cation
I
5813
Iodine, atom
I
5814
Iodide, anion
I
5815
Hydrogen iodide (Geo)
HI
5816
Hydrogen iodide
HI
5817
Lithium iodide (Geo)
LiI
5818
Lithium iodide
LiI
5819
Beryllium iodide (Geo)
BeI
5820
Beryllium iodide
BeI
5821
Iodomethane (Geo)
CH3I
5822
Methyl iodide
CH3I
5823
Iodoethane
C2H5I
Δ
H
f
:
25.5 kcal/mol,
REF:
"CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
OPEN(5,3) PM7 Iodine, atom H=25.517 HR=CRC I 0.00000000 +0 0.00000000 +0 0.00000000 +0