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	hartrees
Energy at 0K	-739.616054
Energy at 298.15K	-739.616098
HF Energy	-739.616054
Nuclear repulsion energy	66.822171

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.920
P2	0.000	0.000	-0.981

	S1	P2
S1		1.9006
P2	1.9006

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.139
2	P	0.139

	x	y	z	Total
	0.000	0.000	-0.787	0.787
CHELPG
AIM
ESP

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

using model chemistry: B1B95/6-311G**

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>	44.303
(<r²>)^1/2	6.656