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	hartrees
Energy at 0K	-1256.248070
Energy at 298.15K	-1256.248347
HF Energy	-1256.072324
Nuclear repulsion energy	182.353615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	668	641	35.79
2	A'	425	408	105.74
3	A'	208	200	4.38

Atom	x (Å)	y (Å)
Cl1	-1.587	-0.557
S2	0.000	0.774
S3	1.686	-0.182

	Cl1	S2	S3
Cl1		2.0708	3.2938
S2	2.0708		1.9376
S3	3.2938	1.9376

Number	Element	Mulliken
1	Cl	-0.161
2	S	0.215
3	S	-0.053

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

using model chemistry: B2PLYP/cc-pVTZ

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	12.242	0.438	0.000
y	0.438	6.064	0.000
z	0.000	0.000	4.128

<r²>	128.673
(<r²>)^1/2	11.343

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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