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	hartrees
Energy at 0K	-2628.383406
Energy at 298.15K	-2628.386277
HF Energy	-2628.383406
Nuclear repulsion energy	72.301786

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.494
Br2	0.000	0.000	0.299

	N1	Br2
N1		1.7932
Br2	1.7932

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.178
2	Br	0.178

	x	y	z	Total
	0.000	0.000	1.282	1.282
CHELPG
AIM
ESP

All results from a given calculation for NBr (nitrogen monobromide)

using model chemistry: HSEh1PBE/6-311G**

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>	33.595
(<r²>)^1/2	5.796