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	hartrees
Energy at 0K	-1253.430678
Energy at 298.15K	-1253.430964
Nuclear repulsion energy	183.339923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	677	670	38.53
2	A'	436	431	96.13
3	A'	205	203	3.05

Atom	x (Å)	y (Å)
Cl1	-1.587	-0.599
S2	0.000	0.764
S3	1.686	-0.127

	Cl1	S2	S3
Cl1		2.0923	3.3071
S2	2.0923		1.9074
S3	3.3071	1.9074

Number	Element	Mulliken
1	Cl	-0.114
2	S	0.170
3	S	-0.057

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

using model chemistry: LSDA/cc-pVTZ

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
	0.324	0.597	0.000	0.679
CHELPG
AIM
ESP

	x	y	z
x	12.371	0.515	0.000
y	0.515	6.083	0.000
z	0.000	0.000	4.179

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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