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	hartrees
Energy at 0K	-1247.553784
Energy at 298.15K	-1247.554018
Nuclear repulsion energy	181.960468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	685	673	37.20
2	A'	391	384	87.98
3	A'	201	198	4.61

Atom	x (Å)	y (Å)
Cl1	-1.602	-0.630
S2	0.000	0.761
S3	1.702	-0.091

	Cl1	S2	S3
Cl1		2.1223	3.3486
S2	2.1223		1.9039
S3	3.3486	1.9039

Number	Element	Mulliken
1	Cl	-0.143
2	S	0.158
3	S	-0.015

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

using model chemistry: LSDA/3-21G*

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
	0.604	0.724	0.000	0.943
CHELPG
AIM
ESP

	x	y	z
x	11.531	0.646	0.000
y	0.646	4.769	0.000
z	0.000	0.000	2.739

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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