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	hartrees
Energy at 0K	-34.545403
Energy at 298.15K	-34.545764
Nuclear repulsion energy	27.341915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	597	536	11.42
2	A'	545	489	67.83
3	A'	237	213	2.10

Atom	x (Å)	y (Å)
Cl1	-1.478	-0.608
S2	0.000	0.826
S3	1.724	-0.117

	Cl1	S2	S3
Cl1		2.0598	3.2401
S2	2.0598		1.9655
S3	3.2401	1.9655

Number	Element	Mulliken
1	Cl	-0.165
2	S	0.170
3	S	-0.005

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

using model chemistry: HF/CEP-31G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.672	0.564	0.000	0.878
CHELPG
AIM
ESP

	x	y	z
x	10.144	0.095	0.000
y	0.095	4.983	0.000
z	0.000	0.000	2.492

<r²>	62.573
(<r²>)^1/2	7.910

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

using model chemistry: HF/CEP-31G*

States and conformations

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