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	hartrees
Energy at 0K	-858.116634
Energy at 298.15K
HF Energy	-857.986916
Nuclear repulsion energy	71.069783

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	-1.043
Cl2	0.000	0.000	0.982

	S1	Cl2
S1		2.0253
Cl2	2.0253

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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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