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	hartrees
Energy at 0K	-349.791687
Energy at 298.15K	-349.790182
HF Energy	-349.791687
Nuclear repulsion energy	22.526228

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	-1.467
Se2	0.000	0.000	0.647

	P1	Se2
P1		2.1142
Se2	2.1142

Number	Element	Mulliken	CHELPG	AIM	ESP
1	P	0.163
2	Se	-0.163

	x	y	z	Total
	0.000	0.000	-1.176	1.176
CHELPG
AIM
ESP

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

using model chemistry: HF/SDD

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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