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	hartrees
Energy at 0K	-1253.392369
Energy at 298.15K	-1253.392597
Nuclear repulsion energy	180.519626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	659	651	46.20
2	A'	394	389	107.74
3	A'	199	197	5.17

Atom	x (Å)	y (Å)
Cl1	-1.612	-0.648
S2	0.000	0.771
S3	1.713	-0.083

	Cl1	S2	S3
Cl1		2.1470	3.3720
S2	2.1470		1.9136
S3	3.3720	1.9136

Number	Element	Mulliken
1	Cl	-0.174
2	S	0.202
3	S	-0.028

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

using model chemistry: LSDA/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.798	0.890	0.000	1.195
CHELPG
AIM
ESP

	x	y	z
x	12.645	0.731	0.000
y	0.731	5.450	0.000
z	0.000	0.000	3.086

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G**

States and conformations

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