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	hartrees
Energy at 0K	-2455.815248
Energy at 298.15K
HF Energy	-2455.661739
Nuclear repulsion energy	77.887857

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.341
Se2	0.000	0.000	0.276

	N1	Se2
N1		1.6170
Se2	1.6170

All results from a given calculation for NSe (Nitrogen monoselenide)

using model chemistry: B2PLYP=FULLultrafine/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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