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	hartrees
Energy at 0K	-41.007001
Energy at 298.15K	-41.007553
HF Energy	-41.007001
Nuclear repulsion energy	30.925981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1164	1164	80.16
2	A'	505	505	115.06
3	A'	299	299	4.53

Atom	x (Å)	y (Å)
Cl1	-0.703	-1.151
S2	0.000	0.816
O3	1.495	0.813

	Cl1	S2	O3
Cl1		2.0890	2.9473
S2	2.0890		1.4946
O3	2.9473	1.4946

Number	Element	Mulliken
1	Cl	-0.162
2	S	0.433
3	O	-0.271

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

using model chemistry: wB97X-D/CEP-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
	-1.414	1.059	0.000	1.766
CHELPG
AIM
ESP

	x	y	z
x	4.837	1.879	0.000
y	1.879	5.920	0.000
z	0.000	0.000	2.069

<r²>	52.389
(<r²>)^1/2	7.238