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	hartrees
Energy at 0K	-3171.165031
Energy at 298.15K	-3171.168543
Nuclear repulsion energy	124.034471

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	-1.839
Br2	0.000	0.000	0.998

	K1	Br2
K1		2.8371
Br2	2.8371

Number	Element	Mulliken	CHELPG	AIM	ESP
1	K	0.699
2	Br	-0.699

	x	y	z	Total
	0.000	0.000	-10.447	10.447
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/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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<r²>	116.239
(<r²>)^1/2	10.781