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	hartrees
Energy at 0K	-933.446909
Energy at 298.15K	-933.447260
HF Energy	-933.446909
Nuclear repulsion energy	128.263442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	925	876	38.97
2	A'	408	386	52.76
3	A'	234	221	3.29

Atom	x (Å)	y (Å)
Cl1	-0.762	-1.234
S2	0.000	0.895
O3	1.619	0.832

	Cl1	S2	O3
Cl1		2.2617	3.1531
S2	2.2617		1.6205
O3	3.1531	1.6205

Number	Element	Mulliken
1	Cl	-0.195
2	S	0.617
3	O	-0.422

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

using model chemistry: mPW1PW91/6-31G

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
	-1.101	1.767	0.000	2.082
CHELPG
AIM
ESP

	x	y	z
x	5.401	2.395	0.000
y	2.395	6.599	0.000
z	0.000	0.000	1.660

<r²>	94.850
(<r²>)^1/2	9.739