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	hartrees
Energy at 0K	-2627.322431
Energy at 298.15K	-2627.325319
HF Energy	-2626.853623
Nuclear repulsion energy	73.172003

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.476
Br2	0.000	0.000	0.295

	N1	Br2
N1		1.7718
Br2	1.7718

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

using model chemistry: MP4=FULL/aug-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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