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	hartrees
Energy at 0K	-534.883446
Energy at 298.15K	-534.879529
Nuclear repulsion energy	51.760277

Atom	x (Å)	y (Å)
O1	0.035	1.083
H2	-0.870	1.347
Cl3	0.035	-0.589

	O1	H2	Cl3
O1		0.9426	1.6714
H2	0.9426		2.1368
Cl3	1.6714	2.1368

Number	Element	Mulliken	CHELPG	ESP
1	O	-0.626	-0.498	-0.499
2	H	0.462	0.454	0.458
3	Cl	0.163	0.044	0.041

	x	y	z	Total
	-1.941	0.176	0.000	1.949
CHELPG
AIM
ESP	-1.991	0.251	0.000	2.007

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

using model chemistry: HF/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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	x	y	z
x	1.366	-0.236	0.000
y	-0.236	3.239	0.000
z	0.000	0.000	1.018

<r²>	28.951
(<r²>)^1/2	5.381