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	hartrees
Energy at 0K	-2628.882152
Energy at 298.15K	-2628.885025
HF Energy	-2628.882152
Nuclear repulsion energy	72.418624

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.492
Br2	0.000	0.000	0.298

	N1	Br2
N1		1.7903
Br2	1.7903

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

using model chemistry: B3LYP/cc-pVTZ

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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