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	hartrees
Energy at 0K	-2628.799967
Energy at 298.15K	-2628.802838
HF Energy	-2628.799967
Nuclear repulsion energy	71.817255

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.504
Br2	0.000	0.000	0.301

	N1	Br2
N1		1.8053
Br2	1.8053

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.468
2	Br	0.468

	x	y	z	Total
	0.000	0.000	1.239	1.239
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/aug-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>	34.037
(<r²>)^1/2	5.834