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	hartrees
Energy at 0K	-930.996406
Energy at 298.15K	-930.996911
HF Energy	-930.996406
Nuclear repulsion energy	138.339174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1156	1137	70.10
2	A'	472	464	90.77
3	A'	278	274	4.02

Atom	x (Å)	y (Å)
Cl1	-0.702	-1.162
S2	0.000	0.808
O3	1.492	0.853

	Cl1	S2	O3
Cl1		2.0919	2.9791
S2	2.0919		1.4928
O3	2.9791	1.4928

Number	Element	Mulliken
1	Cl	-0.155
2	S	0.510
3	O	-0.355

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

using model chemistry: SVWN/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
	-1.168	0.950	0.000	1.506
CHELPG
AIM
ESP

	x	y	z
x	4.702	1.922	0.000
y	1.922	6.044	0.000
z	0.000	0.000	2.364

<r²>	84.522
(<r²>)^1/2	9.194