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	hartrees
Energy at 0K	-3169.246700
Energy at 298.15K	-3169.250207
Nuclear repulsion energy	122.628651

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	-1.860
Br2	0.000	0.000	1.010

	K1	Br2
K1		2.8697
Br2	2.8697

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

using model chemistry: QCISD/6-31G**

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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