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	hartrees
Energy at 0K	-23.153868
Energy at 298.15K	-23.156697
HF Energy	-23.153868
Nuclear repulsion energy	9.615203

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.605
Br2	0.000	0.000	0.321

	N1	Br2
N1		1.9262
Br2	1.9262

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.179
2	Br	0.179

	x	y	z	Total
	0.000	0.000	0.806	0.806
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/CEP-121G

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>	26.483
(<r²>)^1/2	5.146