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	hartrees
Energy at 0K	-3173.063048
Energy at 298.15K	-3173.066531
HF Energy	-3173.063048
Nuclear repulsion energy	120.945833

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	-1.886
Br2	0.000	0.000	1.024

	K1	Br2
K1		2.9096
Br2	2.9096

Number	Element	Mulliken	CHELPG	AIM	ESP
1	K	0.835
2	Br	-0.835

	x	y	z	Total
	0.000	0.000	-11.208	11.208
CHELPG
AIM
ESP

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

using model chemistry: B97D3/6-31+G**

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>	121.806
(<r²>)^1/2	11.037