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	hartrees
Energy at 0K	-1256.576665
Energy at 298.15K	-1256.576829
HF Energy	-1256.576665
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	641	629	35.86
2	A'	360	353	84.30
3	A'	193	189	5.50

Atom	x (Å)	y (Å)
Cl1	-1.635	-0.670
S2	0.000	0.778
S3	1.737	-0.066

	Cl1	S2	S3
Cl1		2.1845	3.4261
S2	2.1845		1.9317
S3	3.4261	1.9317

Number	Element	Mulliken
1	Cl	-0.171
2	S	0.185
3	S	-0.014

All results from a given calculation for ClS₂ (Sulfur chloride)

using model chemistry: B97D3/6-31G*

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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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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.895	0.914	0.000	1.279
CHELPG
AIM
ESP

	x	y	z
x	12.476	0.818	0.000
y	0.818	5.238	0.000
z	0.000	0.000	3.022

<r²>	134.898
(<r²>)^1/2	11.615

All results from a given calculation for ClS2 (Sulfur chloride)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for ClS₂ (Sulfur chloride)