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	hartrees
Energy at 0K	-933.671673
Energy at 298.15K	-933.672246
HF Energy	-933.671673
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1141	1141	86.99
2	A'	443	443	88.18
3	A'	283	283	3.09

Atom	x (Å)	y (Å)
Cl1	-0.695	-1.166
S2	0.000	0.813
O3	1.477	0.853

	Cl1	S2	O3
Cl1		2.0975	2.9654
S2	2.0975		1.4772
O3	2.9654	1.4772

Number	Element	Mulliken
1	Cl	-0.157
2	S	0.722
3	O	-0.565

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

using model chemistry: B97D3/aug-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
	-1.242	0.686	0.000	1.419
CHELPG
AIM
ESP

	x	y	z
x	6.534	1.687	0.000
y	1.687	7.648	0.000
z	0.000	0.000	4.456

<r²>	84.221
(<r²>)^1/2	9.177