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	hartrees
Energy at 0K	-535.971243
Energy at 298.15K	-535.967268
Nuclear repulsion energy	48.855740

Atom	x (Å)	y (Å)
O1	0.037	1.155
H2	-0.922	1.365
Cl3	0.037	-0.624

	O1	H2	Cl3
O1		0.9820	1.7783
H2	0.9820		2.2076
Cl3	1.7783	2.2076

Number	Element	Mulliken
1	O	-0.522
2	H	0.410
3	Cl	0.112

	x	y	z	Total
	-1.843	0.255	0.000	1.861
CHELPG
AIM
ESP

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

using model chemistry: BLYP/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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<r²>	31.198
(<r²>)^1/2	5.586