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	hartrees
Energy at 0K	-1256.634102
Energy at 298.15K	-1256.634330
Nuclear repulsion energy	179.246195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	641	622	30.80
2	A'	403	391	94.78
3	A'	198	192	4.42

Atom	x (Å)	y (Å)
Cl1	-1.616	-0.635
S2	0.000	0.790
S3	1.717	-0.115

	Cl1	S2	S3
Cl1		2.1548	3.3735
S2	2.1548		1.9413
S3	3.3735	1.9413

Number	Element	Mulliken
1	Cl	-0.202
2	S	0.230
3	S	-0.027

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

using model chemistry: B3LYP/aug-cc-pVDZ

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
x	13.783	0.690	0.012
y	0.690	7.470	-0.001
z	0.012	-0.001	5.859

<r²>	132.550
(<r²>)^1/2	11.513

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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