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	hartrees
Energy at 0K	-933.511095
Energy at 298.15K	-933.511443
HF Energy	-933.511095
Nuclear repulsion energy	128.436651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	933	889	40.91
2	A'	406	387	53.25
3	A'	232	221	3.44

Atom	x (Å)	y (Å)
Cl1	-0.760	-1.234
S2	0.000	0.894
O3	1.616	0.834

	Cl1	S2	O3
Cl1		2.2596	3.1499
S2	2.2596		1.6170
O3	3.1499	1.6170

Number	Element	Mulliken
1	Cl	-0.194
2	S	0.615
3	O	-0.422

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

using model chemistry: B1B95/6-31G

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
	-1.112	1.772	0.000	2.091
CHELPG
AIM
ESP

	x	y	z
x	5.344	2.408	0.000
y	2.408	6.597	0.000
z	0.000	0.000	1.650

<r²>	94.644
(<r²>)^1/2	9.729