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	hartrees
Energy at 0K	-739.465764
Energy at 298.15K	-739.465754
HF Energy	-739.465764
Nuclear repulsion energy	62.606153

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.982
P2	0.000	0.000	-1.047

	S1	P2
S1		2.0286
P2	2.0286

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	-0.179
2	P	0.179

	x	y	z	Total
	0.000	0.000	-1.108	1.108
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/6-31G

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>	48.398
(<r²>)^1/2	6.957