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	hartrees
Energy at 0K	-739.565918
Energy at 298.15K	-739.565967
HF Energy	-739.565918
Nuclear repulsion energy	65.966194

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.932
P2	0.000	0.000	-0.995

	S1	P2
S1		1.9269
P2	1.9269

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.128
2	P	0.128

	x	y	z	Total
	0.000	0.000	-0.578	0.578
CHELPG
AIM
ESP

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

using model chemistry: BLYP/aug-cc-pV(T+d)Z

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>	44.898
(<r²>)^1/2	6.701