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	hartrees
Energy at 0K	-2631.509873
Energy at 298.15K
HF Energy	-2631.378469
Nuclear repulsion energy	138.713273

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.658
S2	0.000	0.000	-1.357

	As1	S2
As1		2.0143
S2	2.0143

All results from a given calculation for AsS (Arsenic monosulfide)

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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