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	hartrees
Energy at 0K	-931.874610
Energy at 298.15K	-931.875226
HF Energy	-931.874610
Nuclear repulsion energy	140.993119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1037	942	41.85
2	A'	546	496	114.97
3	A'	335	304	1.96

Atom	x (Å)	y (Å)
Cl1	-0.693	-1.122
S2	0.000	0.817
O3	1.472	0.751

	Cl1	S2	O3
Cl1		2.0592	2.8630
S2	2.0592		1.4738
O3	2.8630	1.4738

Number	Element	Mulliken
1	Cl	-0.197
2	S	0.517
3	O	-0.319

All results from a given calculation for ClSO (Sulfur chloride oxide)

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
	-1.482	1.156	0.000	1.879
CHELPG
AIM
ESP

	x	y	z
x	5.708	1.498	0.000
y	1.498	5.579	0.000
z	0.000	0.000	2.235

<r²>	81.513
(<r²>)^1/2	9.028