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	hartrees
Energy at 0K	-738.291375
Energy at 298.15K	-738.291305
HF Energy	-738.291375
Nuclear repulsion energy	65.668669

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.936
P2	0.000	0.000	-0.998

	S1	P2
S1		1.9340
P2	1.9340

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.143
2	P	0.143

	x	y	z	Total
	0.000	0.000	-0.756	0.756
CHELPG
AIM	0.000	0.000	3.225	3.225
ESP	0.000	0.000	-1.378	1.378

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

using model chemistry: HF/cc-pVTZ

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>	45.196
(<r²>)^1/2	6.723