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	hartrees
Energy at 0K	-933.561366
Energy at 298.15K	-933.561854
HF Energy	-933.561366
Nuclear repulsion energy	137.304484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1135	1091	71.40
2	A'	454	436	96.32
3	A'	280	269	4.54

Atom	x (Å)	y (Å)
Cl1	-0.703	-1.177
S2	0.000	0.822
O3	1.494	0.857

	Cl1	S2	O3
Cl1		2.1188	2.9934
S2	2.1188		1.4943
O3	2.9934	1.4943

Number	Element	Mulliken
1	Cl	-0.195
2	S	0.585
3	O	-0.390

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

using model chemistry: B3LYP/6-31G**

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
	-1.179	1.242	0.000	1.713
CHELPG
AIM
ESP

	x	y	z
x	4.731	1.898	0.000
y	1.898	6.047	0.000
z	0.000	0.000	2.336

<r²>	85.647
(<r²>)^1/2	9.255