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	hartrees
Energy at 0K	-1253.305254
Energy at 298.15K	-1253.305501
Nuclear repulsion energy	181.178709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	669	657	40.56
2	A'	417	409	92.97
3	A'	201	198	4.13

Atom	x (Å)	y (Å)
Cl1	-1.613	-0.615
S2	0.000	0.760
S3	1.714	-0.107

	Cl1	S2	S3
Cl1		2.1199	3.3665
S2	2.1199		1.9209
S3	3.3665	1.9209

Number	Element	Mulliken
1	Cl	-0.138
2	S	0.162
3	S	-0.024

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

using model chemistry: LSDA/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
	0.537	0.720	0.000	0.899
CHELPG
AIM
ESP

	x	y	z
x	12.055	0.563	0.000
y	0.563	5.080	0.000
z	0.000	0.000	3.039

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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