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	hartrees
Energy at 0K	-738.578957
Energy at 298.15K
HF Energy	-738.281681
Nuclear repulsion energy	66.447675

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.925
P2	0.000	0.000	-0.986

	S1	P2
S1		1.9112
P2	1.9112

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.201
2	P	0.201

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

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

using model chemistry: ROMP2/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>	44.464
(<r²>)^1/2	6.668