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	hartrees
Energy at 0K	-933.231443
Energy at 298.15K	-933.231944
HF Energy	-933.231443
Nuclear repulsion energy	137.879899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1130	1122	76.06
2	A'	460	457	86.37
3	A'	280	278	2.60

Atom	x (Å)	y (Å)
Cl1	-0.703	-1.168
S2	0.000	0.817
O3	1.493	0.847

	Cl1	S2	O3
Cl1		2.1053	2.9797
S2	2.1053		1.4933
O3	2.9797	1.4933

Number	Element	Mulliken
1	Cl	-0.134
2	S	0.427
3	O	-0.293

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

using model chemistry: PBEPBE/cc-pVTZ

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
	-1.219	0.770	0.000	1.442
CHELPG
AIM
ESP

	x	y	z
x	5.431	1.823	0.000
y	1.823	6.712	0.000
z	0.000	0.000	3.082

<r²>	84.800
(<r²>)^1/2	9.209