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	hartrees
Energy at 0K	-2627.323988
Energy at 298.15K	-2627.326862
HF Energy	-2626.853823
Nuclear repulsion energy	72.888988

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.482
Br2	0.000	0.000	0.296

	N1	Br2
N1		1.7786
Br2	1.7786

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

using model chemistry: CCSD(T)=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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