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	hartrees
Energy at 0K	-933.736651
Energy at 298.15K	-933.737219
HF Energy	-933.736651
Nuclear repulsion energy	140.838596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1191	1142	89.56
2	A'	498	478	102.79
3	A'	304	292	2.58

Atom	x (Å)	y (Å)
Cl1	-0.691	-1.134
S2	0.000	0.804
O3	1.469	0.802

	Cl1	S2	O3
Cl1		2.0582	2.9017
S2	2.0582		1.4692
O3	2.9017	1.4692

Number	Element	Mulliken
1	Cl	-0.131
2	S	0.657
3	O	-0.526

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

using model chemistry: B1B95/aug-cc-pVTZ

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
	-1.396	0.659	0.000	1.544
CHELPG
AIM
ESP

	x	y	z
x	6.292	1.536	0.000
y	1.536	7.171	0.000
z	0.000	0.000	4.267

<r²>	81.815
(<r²>)^1/2	9.045