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	hartrees
Energy at 0K	-535.210622
Energy at 298.15K	-535.206668
HF Energy	-534.871662
Nuclear repulsion energy	50.185341

Atom	x (Å)	y (Å)
O1	0.037	1.124
H2	-0.919	1.305
Cl3	0.037	-0.605

	O1	H2	Cl3
O1		0.9730	1.7290
H2	0.9730		2.1366
Cl3	1.7290	2.1366

All results from a given calculation for DOCl (Hypochlorous acid-d)

using model chemistry: MP2=FULL/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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