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	hartrees
Energy at 0K	-858.424817
Energy at 298.15K	-858.424505
HF Energy	-858.424817
Nuclear repulsion energy	72.491760

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.023
Cl2	0.000	0.000	0.963

	S1	Cl2
S1		1.9856
Cl2	1.9856

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.018
2	Cl	-0.018

	x	y	z	Total
	0.000	0.000	0.038	0.038
CHELPG
AIM
ESP

All results from a given calculation for SCl (sulfur monochloride)

using model chemistry: TPSSh/cc-pCVTZ

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>	47.907
(<r²>)^1/2	6.921