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	hartrees
Energy at 0K	-933.484924
Energy at 298.15K	-933.485505
HF Energy	-933.484924
Nuclear repulsion energy	141.136604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1239	1180	86.62
2	A'	509	485	109.78
3	A'	309	294	3.07

Atom	x (Å)	y (Å)
Cl1	-0.687	-1.136
S2	0.000	0.805
O3	1.461	0.805

	Cl1	S2	O3
Cl1		2.0588	2.8951
S2	2.0588		1.4609
O3	2.8951	1.4609

Number	Element	Mulliken
1	Cl	-0.156
2	S	0.372
3	O	-0.216

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

using model chemistry: M06-2X/6-31G(2df,p)

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
	-1.250	0.875	0.000	1.526
CHELPG
AIM
ESP

	x	y	z
x	4.987	1.534	0.000
y	1.534	6.216	0.000
z	0.000	0.000	3.171

<r²>	81.443
(<r²>)^1/2	9.025