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	hartrees
Energy at 0K	-933.589050
Energy at 298.15K	-933.589474
HF Energy	-933.589050
Nuclear repulsion energy	133.638850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1055	1055	62.72
2	A'	417	417	72.25
3	A'	253	253	3.36

Atom	x (Å)	y (Å)
Cl1	-0.718	-1.218
S2	0.000	0.844
O3	1.525	0.901

	Cl1	S2	O3
Cl1		2.1833	3.0855
S2	2.1833		1.5259
O3	3.0855	1.5259

Number	Element	Mulliken
1	Cl	-0.177
2	S	0.453
3	O	-0.276

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

using model chemistry: BLYP/cc-pCVDZ

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
	-1.047	1.227	0.000	1.613
CHELPG
AIM
ESP

	x	y	z
x	4.813	2.068	0.000
y	2.068	6.318	0.000
z	0.000	0.000	2.168

<r²>	89.461
(<r²>)^1/2	9.458