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	hartrees
Energy at 0K	-933.293956
Energy at 298.15K	-933.294540
HF Energy	-933.293956
Nuclear repulsion energy	141.567045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1216	1216	85.27
2	A'	505	505	103.26
3	A'	311	311	2.49

Atom	x (Å)	y (Å)
Cl1	-0.687	-1.131
S2	0.000	0.798
O3	1.460	0.808

	Cl1	S2	O3
Cl1		2.0481	2.8927
S2	2.0481		1.4595
O3	2.8927	1.4595

Number	Element	Mulliken
1	Cl	-0.185
2	S	0.499
3	O	-0.313

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

using model chemistry: PBE1PBE/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
	-1.327	0.653	0.000	1.479
CHELPG
AIM
ESP

	x	y	z
x	5.853	1.478	0.000
y	1.478	6.801	0.000
z	0.000	0.000	3.863

<r²>	81.203
(<r²>)^1/2	9.011