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	hartrees
Energy at 0K	-1250.659516
Energy at 298.15K	-1250.659789
HF Energy	-1250.659516
Nuclear repulsion energy	183.768999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	682	646	23.99
2	A'	416	394	98.63
3	A'	212	201	4.78

Atom	x (Å)	y (Å)
Cl1	-1.573	-0.600
S2	0.000	0.779
S3	1.671	-0.141

	Cl1	S2	S3
Cl1		2.0916	3.2759
S2	2.0916		1.9076
S3	3.2759	1.9076

Number	Element	Mulliken
1	Cl	-0.164
2	S	0.190
3	S	-0.026

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

using model chemistry: M06-2X/3-21G*

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
	0.557	0.819	0.000	0.991
CHELPG
AIM
ESP

	x	y	z
x	10.988	0.271	0.000
y	0.271	4.823	0.000
z	0.000	0.000	2.764

<r²>	127.000
(<r²>)^1/2	11.269

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

using model chemistry: M06-2X/3-21G*

States and conformations

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