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	hartrees
Energy at 0K	-933.489216
Energy at 298.15K	-933.489531
HF Energy	-933.489216
Nuclear repulsion energy	126.149647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	923	887	44.46
2	A'	391	376	41.25
3	A'	222	213	3.34

Atom	x (Å)	y (Å)
Cl1	-0.756	-1.290
S2	0.000	0.917
O3	1.607	0.907

	Cl1	S2	O3
Cl1		2.3335	3.2264
S2	2.3335		1.6066
O3	3.2264	1.6066

Number	Element	Mulliken
1	Cl	-0.184
2	S	0.619
3	O	-0.435

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

using model chemistry: B3LYP/SDD

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
	-1.289	1.794	0.000	2.210
CHELPG
AIM
ESP

	x	y	z
x	5.418	2.640	0.000
y	2.640	6.786	0.000
z	0.000	0.000	1.344

<r²>	98.456
(<r²>)^1/2	9.923