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	hartrees
Energy at 0K	-858.418998
Energy at 298.15K	-858.418672
HF Energy	-858.418998
Nuclear repulsion energy	71.696876

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.034
Cl2	0.000	0.000	0.973

	S1	Cl2
S1		2.0076
Cl2	2.0076

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.058
2	Cl	-0.058

	x	y	z	Total
	0.000	0.000	-0.062	0.062
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/aug-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>	48.887
(<r²>)^1/2	6.992