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	hartrees
Energy at 0K	-535.992714
Energy at 298.15K	-535.988760
Nuclear repulsion energy	49.958615

Atom	x (Å)	y (Å)
O1	0.036	1.126
H2	-0.905	1.356
Cl3	0.036	-0.610

	O1	H2	Cl3
O1		0.9692	1.7357
H2	0.9692		2.1791
Cl3	1.7357	2.1791

Number	Element	Mulliken	ESP
1	O	-0.555	-0.448
2	H	0.427	0.427
3	Cl	0.128	0.020

	x	y	z	Total
	-1.886	0.232	0.000	1.900
CHELPG
AIM
ESP	-1.933	0.303	0.000	1.957

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

using model chemistry: B3LYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z
x	1.491	-0.242	-0.000
y	-0.242	3.351	0.000
z	-0.000	0.000	1.058

<r²>	30.271
(<r²>)^1/2	5.502