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	hartrees
Energy at 0K	-734.558260
Energy at 298.15K	-734.557880
HF Energy	-734.558260
Nuclear repulsion energy	55.683806

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.104
P2	0.000	0.000	-1.177

	S1	P2
S1		2.2808
P2	2.2808

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.200
2	P	0.200

	x	y	z	Total
	0.000	0.000	-1.426	1.426
CHELPG	0.000	0.000	-1.518	1.518
AIM
ESP	0.000	0.000	-2.795	2.795

All results from a given calculation for PS (phosphorus sulfide)

using model chemistry: HF/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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<r²>	57.455
(<r²>)^1/2	7.580