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	hartrees
Energy at 0K	-16.234822
Energy at 298.15K	-16.234616
HF Energy	-16.234822
Nuclear repulsion energy	7.229989

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.998
P2	0.000	0.000	-1.198

	S1	P2
S1		2.1958
P2	2.1958

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.205
2	P	0.205

	x	y	z	Total
	0.000	0.000	-1.361	1.361
CHELPG
AIM
ESP

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

using model chemistry: HF/CEP-121G

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>	29.089
(<r²>)^1/2	5.393