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	hartrees
Energy at 0K	-1256.663847
Energy at 298.15K	-1256.664108
HF Energy	-1256.663847
Nuclear repulsion energy	182.390275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	656	631	32.63
2	A'	418	402	99.96
3	A'	209	201	4.08

Atom	x (Å)	y (Å)
Cl1	-1.590	-0.558
S2	0.000	0.769
S3	1.689	-0.177

	Cl1	S2	S3
Cl1		2.0708	3.3015
S2	2.0708		1.9360
S3	3.3015	1.9360

Number	Element	Mulliken
1	Cl	-0.151
2	S	0.208
3	S	-0.057

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

using model chemistry: B3LYP/Def2TZVPP

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
	0.475	0.692	0.000	0.840
CHELPG
AIM
ESP

	x	y	z
x	12.226	0.481	0.000
y	0.481	6.044	0.000
z	0.000	0.000	4.111

<r²>	128.718
(<r²>)^1/2	11.345

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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