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	hartrees
Energy at 0K	-933.287833
Energy at 298.15K	-933.288405
HF Energy	-933.287833
Nuclear repulsion energy	140.638021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1195	1149	89.20
2	A'	500	481	101.69
3	A'	306	294	2.51

Atom	x (Å)	y (Å)
Cl1	-0.692	-1.137
S2	0.000	0.805
O3	1.471	0.805

	Cl1	S2	O3
Cl1		2.0614	2.9068
S2	2.0614		1.4707
O3	2.9068	1.4707

Number	Element	Mulliken
1	Cl	-0.158
2	S	0.713
3	O	-0.555

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

using model chemistry: PBE1PBE/aug-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
	-1.379	0.651	0.000	1.525
CHELPG
AIM
ESP

	x	y	z
x	6.314	1.531	0.000
y	1.531	7.190	0.000
z	0.000	0.000	4.288

<r²>	82.081
(<r²>)^1/2	9.060