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	hartrees
Energy at 0K	-736.028560
Energy at 298.15K	-736.028600
HF Energy	-736.028560
Nuclear repulsion energy	66.525802

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.924
P2	0.000	0.000	-0.985

	S1	P2
S1		1.9091
P2	1.9091

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.148
2	P	0.148

	x	y	z	Total
	0.000	0.000	-0.793	0.793
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/3-21G*

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>	44.306
(<r²>)^1/2	6.656