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	hartrees
Energy at 0K	-933.697008
Energy at 298.15K	-933.697627
HF Energy	-933.697008
Nuclear repulsion energy	140.131051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1171	1171	87.15
2	A'	477	477	96.85
3	A'	296	296	2.60

Atom	x (Å)	y (Å)
Cl1	-0.692	-1.147
S2	0.000	0.805
O3	1.471	0.826

	Cl1	S2	O3
Cl1		2.0708	2.9279
S2	2.0708		1.4711
O3	2.9279	1.4711

Number	Element	Mulliken
1	Cl	-0.153
2	S	0.708
3	O	-0.555

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

using model chemistry: TPSSh/aug-cc-pV(T+d)Z

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
	-1.287	0.621	0.000	1.429
CHELPG
AIM
ESP

	x	y	z
x	6.357	1.588	0.000
y	1.588	7.333	0.000
z	0.000	0.000	4.327

<r²>	82.702
(<r²>)^1/2	9.094