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	hartrees
Energy at 0K	-738.167694
Energy at 298.15K	-738.167465
HF Energy	-738.167694
Nuclear repulsion energy	58.083412

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.058
P2	0.000	0.000	-1.129

	S1	P2
S1		2.1866
P2	2.1866

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.218
2	P	0.218

	x	y	z	Total
	0.000	0.000	-1.345	1.345
CHELPG	0.000	0.000	-1.426	1.426
AIM
ESP

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

using model chemistry: HF/6-31G

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>	54.124
(<r²>)^1/2	7.357