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	hartrees
Energy at 0K	-931.939945
Energy at 298.15K	-931.940599
HF Energy	-931.939945
Nuclear repulsion energy	143.312995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1247	1133	60.71
2	A'	546	496	124.68
3	A'	347	315	2.35

Atom	x (Å)	y (Å)
Cl1	-0.675	-1.119
S2	0.000	0.801
O3	1.434	0.776

	Cl1	S2	O3
Cl1		2.0353	2.8355
S2	2.0353		1.4347
O3	2.8355	1.4347

Number	Element	Mulliken
1	Cl	-0.198
2	S	0.995
3	O	-0.797

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

using model chemistry: HF/aug-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
	-1.527	0.743	0.000	1.698
CHELPG
AIM
ESP

	x	y	z
x	6.203	1.298	0.000
y	1.298	6.723	0.000
z	0.000	0.000	4.135

<r²>	79.823
(<r²>)^1/2	8.934