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	hartrees
Energy at 0K	-922.688802
Energy at 298.15K	-922.689218
HF Energy	-922.658208
Nuclear repulsion energy	131.928152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	988	988	27.03
2	A'	507	507	49.19
3	A'	280	280	3.68

Atom	x (Å)	y (Å)
Cl1	-0.750	-1.169
S2	0.000	0.887
O3	1.594	0.710

	Cl1	S2	O3
Cl1		2.1890	3.0050
S2	2.1890		1.6042
O3	3.0050	1.6042

Number	Element	Mulliken
1	Cl	-0.283
2	S	0.440
3	O	-0.157

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

using model chemistry: B2PLYP/STO-3G

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
	0.476	2.519	0.000	2.564
CHELPG
AIM
ESP

	x	y	z
x	2.921	1.546	0.000
y	1.546	3.518	0.000
z	0.000	0.000	0.389

<r²>	87.017
(<r²>)^1/2	9.328