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	hartrees
Energy at 0K	-535.937383
Energy at 298.15K
Nuclear repulsion energy	47.828731

Atom	x (Å)	y (Å)
O1	0.037	1.180
H2	-0.923	1.413
Cl3	0.037	-0.638

	O1	H2	Cl3
O1		0.9883	1.8186
H2	0.9883		2.2656
Cl3	1.8186	2.2656

Number	Element	Mulliken
1	O	-0.526
2	H	0.395
3	Cl	0.132

	x	y	z	Total
	-2.097	0.098	0.000	2.099
CHELPG
AIM
ESP

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

using model chemistry: B1B95/SDD

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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	x	y	z
x	1.183	-0.268	0.000
y	-0.268	3.723	0.000
z	0.000	0.000	0.499

<r²>	31.898
(<r²>)^1/2	5.648