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	hartrees
Energy at 0K	-1254.583816
Energy at 298.15K	-1254.584192
HF Energy	-1254.583816
Nuclear repulsion energy	185.977192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	614	557	6.74
2	A'	527	478	76.02
3	A'	242	220	1.37

Atom	x (Å)	y (Å)
Cl1	-1.549	-0.534
S2	0.000	0.794
S3	1.645	-0.227

	Cl1	S2	S3
Cl1		2.0402	3.2088
S2	2.0402		1.9367
S3	3.2088	1.9367

Number	Element	Mulliken
1	Cl	-0.157
2	S	0.199
3	S	-0.042

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

using model chemistry: HF/Def2TZVPP

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
	0.394	0.481	0.000	0.622
CHELPG
AIM
ESP

	x	y	z
x	10.978	-0.104	0.000
y	-0.104	5.959	0.000
z	0.000	0.000	4.055

<r²>	123.238
(<r²>)^1/2	11.101

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

using model chemistry: HF/Def2TZVPP

States and conformations

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