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	hartrees
Energy at 0K	-2626.860053
Energy at 298.15K	-2626.862905
HF Energy	-2626.860053
Nuclear repulsion energy	71.641403

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.508
Br2	0.000	0.000	0.302

	N1	Br2
N1		1.8097
Br2	1.8097

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.304
2	Br	0.304

	x	y	z	Total
	0.000	0.000	0.664	0.664
CHELPG
AIM
ESP

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

using model chemistry: ROHF/aug-cc-pVQZ

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>	34.044
(<r²>)^1/2	5.835