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	hartrees
Energy at 0K	-3156.645510
Energy at 298.15K	-3156.649026
Nuclear repulsion energy	121.071803

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	-1.884
Br2	0.000	0.000	1.023

	K1	Br2
K1		2.9066
Br2	2.9066

All results from a given calculation for KBr (Potassium Bromide)

using model chemistry: CID/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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