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	hartrees
Energy at 0K	-1254.553419
Energy at 298.15K	-1254.553767
HF Energy	-1254.553419
Nuclear repulsion energy	183.149406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	577	525	8.91
2	A'	527	478	65.10
3	A'	237	215	1.89

Atom	x (Å)	y (Å)
Cl1	-1.564	-0.540
S2	0.000	0.808
S3	1.662	-0.234

	Cl1	S2	S3
Cl1		2.0651	3.2411
S2	2.0651		1.9621
S3	3.2411	1.9621

Number	Element	Mulliken
1	Cl	-0.166
2	S	0.170
3	S	-0.004

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

using model chemistry: HF/TZVP

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
	0.735	0.579	0.000	0.935
CHELPG
AIM
ESP

	x	y	z
x	10.188	-0.112	0.000
y	-0.112	5.202	0.000
z	0.000	0.000	2.948

<r²>	126.190
(<r²>)^1/2	11.233

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

using model chemistry: HF/TZVP

States and conformations

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