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	hartrees
Energy at 0K	-933.677476
Energy at 298.15K	-933.677959
HF Energy	-933.677476
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1134	1134	81.28
2	A'	440	440	86.52
3	A'	281	281	3.23

Atom	x (Å)	y (Å)
Cl1	-0.696	-1.173
S2	0.000	0.818
O3	1.480	0.857

	Cl1	S2	O3
Cl1		2.1087	2.9761
S2	2.1087		1.4803
O3	2.9761	1.4803

Number	Element	Mulliken
1	Cl	-0.167
2	S	0.530
3	O	-0.363

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

using model chemistry: B97D3/cc-pVQZ

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
	-1.218	0.775	0.000	1.444
CHELPG
AIM
ESP

	x	y	z
x	5.914	1.768	0.000
y	1.768	7.207	0.000
z	0.000	0.000	3.714

<r²>	84.667
(<r²>)^1/2	9.201