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	hartrees
Energy at 0K	-739.484328
Energy at 298.15K
HF Energy	-739.484328
Nuclear repulsion energy	66.480644

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.924
P2	0.000	0.000	-0.986

	S1	P2
S1		1.9104
P2	1.9104

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.050
2	P	-0.050

	x	y	z	Total
	0.000	0.000	-0.730	0.730
CHELPG
AIM
ESP

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

using model chemistry: M06-2X/daug-cc-pVDZ

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>	44.394
(<r²>)^1/2	6.663