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	hartrees
Energy at 0K	-858.387539
Energy at 298.15K	-858.387210
HF Energy	-858.387539
Nuclear repulsion energy	70.954858

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.045
Cl2	0.000	0.000	0.984

	S1	Cl2
S1		2.0286
Cl2	2.0286

Number	Element	Mulliken	CHELPG	AIM	ESP
1	S	0.052
2	Cl	-0.052

	x	y	z	Total
	0.000	0.000	-0.189	0.189
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/cc-pCVDZ

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>	49.355
(<r²>)^1/2	7.025