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	hartrees
Energy at 0K	-933.635806
Energy at 298.15K	-933.636280
HF Energy	-933.635806
Nuclear repulsion energy	136.747603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1130	1092	86.16
2	A'	439	424	105.54
3	A'	277	268	5.38

Atom	x (Å)	y (Å)
Cl1	-0.699	-1.191
S2	0.000	0.833
O3	1.486	0.865

	Cl1	S2	O3
Cl1		2.1421	3.0010
S2	2.1421		1.4863
O3	3.0010	1.4863

Number	Element	Mulliken
1	Cl	-0.215
2	S	0.590
3	O	-0.375

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

using model chemistry: B3LYPultrafine/6-311G*

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
	-1.268	1.461	0.000	1.935
CHELPG
AIM
ESP

	x	y	z
x	4.813	2.000	0.000
y	2.000	6.367	0.000
z	0.000	0.000	2.229

<r²>	86.829
(<r²>)^1/2	9.318