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	hartrees
Energy at 0K	-535.927143
Energy at 298.15K	-535.923211
Nuclear repulsion energy	50.809331

Atom	x (Å)	y (Å)
O1	0.036	1.105
H2	-0.910	1.323
Cl3	0.036	-0.598

	O1	H2	Cl3
O1		0.9709	1.7035
H2	0.9709		2.1415
Cl3	1.7035	2.1415

Number	Element	Mulliken
1	O	-0.610
2	H	0.447
3	Cl	0.163

	x	y	z	Total
	-1.749	0.272	0.000	1.770
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-31G*

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>	29.273
(<r²>)^1/2	5.410