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	hartrees
Energy at 0K	-933.636831
Energy at 298.15K	-933.637418
HF Energy	-933.636831
Nuclear repulsion energy	141.298293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1216	1216	96.18
2	A'	509	509	106.56
3	A'	313	313	2.65

Atom	x (Å)	y (Å)
Cl1	-0.686	-1.136
S2	0.000	0.803
O3	1.459	0.807

	Cl1	S2	O3
Cl1		2.0565	2.8938
S2	2.0565		1.4586
O3	2.8938	1.4586

Number	Element	Mulliken
1	Cl	-0.195
2	S	0.983
3	O	-0.788

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

using model chemistry: wB97X-D/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
	-1.375	0.658	0.000	1.524
CHELPG
AIM
ESP

	x	y	z
x	6.265	1.487	0.000
y	1.487	7.179	0.000
z	0.000	0.000	4.343

<r²>	81.498
(<r²>)^1/2	9.028