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	hartrees
Energy at 0K	-1256.614211
Energy at 298.15K	-1256.614544
HF Energy	-1256.614211
Nuclear repulsion energy	184.257280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	661	632	24.65
2	A'	471	450	98.67
3	A'	222	212	2.55

Atom	x (Å)	y (Å)
Cl1	-1.573	-0.550
S2	0.000	0.778
S3	1.671	-0.193

	Cl1	S2	S3
Cl1		2.0580	3.2629
S2	2.0580		1.9324
S3	3.2629	1.9324

Number	Element	Mulliken
1	Cl	-0.129
2	S	0.200
3	S	-0.071

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

using model chemistry: wB97X-D/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	Total
	0.269	0.642	0.000	0.696
CHELPG
AIM
ESP

	x	y	z
x	11.891	0.224	0.000
y	0.224	6.028	0.000
z	0.000	0.000	4.140

<r²>	125.816
(<r²>)^1/2	11.217

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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