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	hartrees
Energy at 0K	-2628.831222
Energy at 298.15K	-2628.834085
HF Energy	-2628.831222
Nuclear repulsion energy	71.925795

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.502
Br2	0.000	0.000	0.300

	N1	Br2
N1		1.8025
Br2	1.8025

Number	Element	Mulliken	CHELPG	AIM	ESP
1	N	-0.107
2	Br	0.107

	x	y	z	Total
	0.000	0.000	1.373	1.373
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/TZVP

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>	33.956
(<r²>)^1/2	5.827