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	hartrees
Energy at 0K	-535.248823
Energy at 298.15K	-535.244857
HF Energy	-534.880922
Nuclear repulsion energy	49.956912

Atom	x (Å)	y (Å)
O1	0.036	1.126
H2	-0.903	1.356
Cl3	0.036	-0.610

	O1	H2	Cl3
O1		0.9667	1.7363
H2	0.9667		2.1790
Cl3	1.7363	2.1790

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

using model chemistry: MP4/6-311G*

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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