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	hartrees
Energy at 0K	-535.220762
Energy at 298.15K
HF Energy	-534.881882
Nuclear repulsion energy	50.434950

Atom	x (Å)	y (Å)
O1	0.036	1.101
H2	-0.891	1.368
Cl3	0.036	-0.599

	O1	H2	Cl3
O1		0.9637	1.7000
H2	0.9637		2.1735
Cl3	1.7000	2.1735

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

using model chemistry: MP2/6-311G*

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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