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	hartrees
Energy at 0K	-2599.441882
Energy at 298.15K	-2599.444752
HF Energy	-2599.441882
Nuclear repulsion energy	68.734902

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.572
Br2	0.000	0.000	0.314

	N1	Br2
N1		1.8862
Br2	1.8862

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.097
2	Br	0.097

	x	y	z	Total
	0.000	0.000	0.549	0.549
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/STO-3G

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>	34.077
(<r²>)^1/2	5.838