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	hartrees
Energy at 0K	-1256.102050
Energy at 298.15K	-1256.102300
HF Energy	-1256.102050
Nuclear repulsion energy	181.797144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	661	653	37.60
2	A'	412	407	93.32
3	A'	203	200	3.48

Atom	x (Å)	y (Å)
Cl1	-1.598	-0.558
S2	0.000	0.763
S3	1.698	-0.170

	Cl1	S2	S3
Cl1		2.0726	3.3179
S2	2.0726		1.9371
S3	3.3179	1.9371

Number	Element	Mulliken
1	Cl	-0.132
2	S	0.185
3	S	-0.053

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

using model chemistry: PBEPBE/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
	0.432	0.621	0.000	0.757
CHELPG
AIM
ESP

	x	y	z
x	12.502	0.580	0.000
y	0.580	6.078	0.000
z	0.000	0.000	4.169

<r²>	129.625
(<r²>)^1/2	11.385

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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