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	hartrees
Energy at 0K	-2729.177546
Energy at 298.15K	-2729.176098
HF Energy	-2729.135561
Nuclear repulsion energy	127.989950

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	-1.463
Se2	0.000	0.000	0.645

	P1	Se2
P1		2.1086
Se2	2.1086

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

using model chemistry: B2PLYP=FULL/3-21G

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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