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	hartrees
Energy at 0K	-858.382153
Energy at 298.15K	-858.381821
HF Energy	-858.382153
Nuclear repulsion energy	70.855729

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.046
Cl2	0.000	0.000	0.985

	S1	Cl2
S1		2.0314
Cl2	2.0314

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

	x	y	z	Total
	0.000	0.000	-0.196	0.196
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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>	49.427
(<r²>)^1/2	7.030