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	hartrees
Energy at 0K	-933.212256
Energy at 298.15K	-933.212790
HF Energy	-933.212256
Nuclear repulsion energy	139.195112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1164	1112	89.88
2	A'	479	458	110.96
3	A'	295	282	4.60

Atom	x (Å)	y (Å)
Cl1	-0.699	-1.150
S2	0.000	0.812
O3	1.485	0.821

	Cl1	S2	O3
Cl1		2.0823	2.9417
S2	2.0823		1.4851
O3	2.9417	1.4851

Number	Element	Mulliken
1	Cl	-0.102
2	S	0.494
3	O	-0.392

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

using model chemistry: HSEh1PBE/6-31+G**

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
	-1.473	1.004	0.000	1.783
CHELPG
AIM
ESP

	x	y	z
x	5.606	1.826	0.000
y	1.826	6.374	0.000
z	0.000	0.000	3.054

<r²>	83.800
(<r²>)^1/2	9.154