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	hartrees
Energy at 0K	-3171.718409
Energy at 298.15K	-3171.721892
HF Energy	-3171.718409
Nuclear repulsion energy	121.969518

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	-1.873
Br2	0.000	0.000	1.017

	K1	Br2
K1		2.8894
Br2	2.8894

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

using model chemistry: wB97X-D/cc-pVDZ

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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