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	hartrees
Energy at 0K	-2695.579764
Energy at 298.15K
HF Energy	-2695.436414
Nuclear repulsion energy	136.175005

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.741
Cl2	0.000	0.000	-1.439

	As1	Cl2
As1		2.1801
Cl2	2.1801

All results from a given calculation for AsCl (Arsenic monochloride)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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