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	hartrees
Energy at 0K	-1256.426346
Energy at 298.15K	-1256.426652
Nuclear repulsion energy	183.558202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	672	647	31.89
2	A'	451	433	97.07
3	A'	215	206	3.08

Atom	x (Å)	y (Å)
Cl1	-1.584	-0.590
S2	0.000	0.766
S3	1.683	-0.139

	Cl1	S2	S3
Cl1		2.0850	3.2986
S2	2.0850		1.9110
S3	3.2986	1.9110

Number	Element	Mulliken
1	Cl	-0.125
2	S	0.191
3	S	-0.066

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

using model chemistry: B3PW91/6-31G(2df,p)

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	Total
	0.307	0.626	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	11.876	0.300	0.000
y	0.300	5.913	-0.001
z	0.000	-0.001	4.231

<r²>	127.007
(<r²>)^1/2	11.270

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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