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	hartrees
Energy at 0K	-535.861144
Energy at 298.15K	-535.857209
Nuclear repulsion energy	50.592593

Atom	x (Å)	y (Å)
O1	0.037	1.111
H2	-0.913	1.325
Cl3	0.037	-0.601

	O1	H2	Cl3
O1		0.9730	1.7114
H2	0.9730		2.1470
Cl3	1.7114	2.1470

Number	Element	Mulliken
1	O	-0.603
2	H	0.444
3	Cl	0.159

	x	y	z	Total
	-1.747	0.271	0.000	1.768
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/6-31G*

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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<r²>	29.432
(<r²>)^1/2	5.425