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	hartrees
Energy at 0K	-1256.491363
Energy at 298.15K	-1256.491669
HF Energy	-1256.491363
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	648	615	23.34
2	A'	463	439	97.71
3	A'	221	210	3.67

Atom	x (Å)	y (Å)
Cl1	-1.586	-0.549
S2	0.000	0.774
S3	1.685	-0.191

	Cl1	S2	S3
Cl1		2.0658	3.2906
S2	2.0658		1.9418
S3	3.2906	1.9418

Number	Element	Mulliken
1	Cl	-0.155
2	S	0.196
3	S	-0.041

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

using model chemistry: wB97X-D/6-31G*

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
	0.439	0.776	0.000	0.892
CHELPG
AIM
ESP

	x	y	z
x	11.408	0.096	0.000
y	0.096	5.082	0.000
z	0.000	0.000	3.025

<r²>	127.796
(<r²>)^1/2	11.305

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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