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	hartrees
Energy at 0K	-2740.818809
Energy at 298.15K	-2740.817330
HF Energy	-2740.553627
Nuclear repulsion energy	130.092260

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	-1.439
Se2	0.000	0.000	0.635

	P1	Se2
P1		2.0745
Se2	2.0745

All results from a given calculation for PSe (Phosphorus monoselenide)

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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