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	hartrees
Energy at 0K	-2628.783751
Energy at 298.15K	-2628.786599
HF Energy	-2628.783751
Nuclear repulsion energy	70.552552

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.531
Br2	0.000	0.000	0.306

	N1	Br2
N1		1.8376
Br2	1.8376

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.172
2	Br	0.172

	x	y	z	Total
	0.000	0.000	1.296	1.296
CHELPG
AIM
ESP

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

using model chemistry: BLYP/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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<r²>	34.355
(<r²>)^1/2	5.861