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	hartrees
Energy at 0K	-1256.737135
Energy at 298.15K	-1256.737379
Nuclear repulsion energy	181.532592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	649	622	36.88
2	A'	403	387	115.02
3	A'	210	202	5.79

Atom	x (Å)	y (Å)
Cl1	-1.597	-0.632
S2	0.000	0.777
S3	1.697	-0.105

	Cl1	S2	S3
Cl1		2.1302	3.3362
S2	2.1302		1.9129
S3	3.3362	1.9129

Number	Element	Mulliken
1	Cl	-0.185
2	S	0.223
3	S	-0.037

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

using model chemistry: B1B95/6-311G*

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
	0.742	0.930	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	12.094	0.483	0.000
y	0.483	5.331	0.000
z	0.000	0.000	3.005

<r²>	130.392
(<r²>)^1/2	11.419

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

using model chemistry: B1B95/6-311G*

States and conformations

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