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	hartrees
Energy at 0K	-933.613479
Energy at 298.15K	-933.614018
HF Energy	-933.613479
Nuclear repulsion energy	138.437051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1144	1097	80.82
2	A'	485	465	97.30
3	A'	292	280	2.45

Atom	x (Å)	y (Å)
Cl1	-0.705	-1.150
S2	0.000	0.818
O3	1.499	0.808

	Cl1	S2	O3
Cl1		2.0908	2.9482
S2	2.0908		1.4991
O3	2.9482	1.4991

Number	Element	Mulliken
1	Cl	-0.195
2	S	0.745
3	O	-0.550

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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
	-1.354	0.796	0.000	1.571
CHELPG
AIM
ESP

	x	y	z
x	6.396	1.633	0.000
y	1.633	7.156	0.000
z	0.000	0.000	4.137

<r²>	84.027
(<r²>)^1/2	9.167