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	hartrees
Energy at 0K	-2627.056425
Energy at 298.15K	-2627.059275
HF Energy	-2626.768365
Nuclear repulsion energy	70.906337

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.524
Br2	0.000	0.000	0.305

	N1	Br2
N1		1.8284
Br2	1.8284

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

using model chemistry: QCISD(T)/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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