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	hartrees
Energy at 0K	-933.273903
Energy at 298.15K	-933.274423
HF Energy	-933.273903
Nuclear repulsion energy	138.689088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1159	1112	84.87
2	A'	467	448	113.92
3	A'	293	281	5.00

Atom	x (Å)	y (Å)
Cl1	-0.696	-1.163
S2	0.000	0.819
O3	1.479	0.835

	Cl1	S2	O3
Cl1		2.1007	2.9534
S2	2.1007		1.4788
O3	2.9534	1.4788

Number	Element	Mulliken
1	Cl	-0.202
2	S	0.582
3	O	-0.381

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

using model chemistry: HSEh1PBE/6-311G*

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
	-1.327	1.281	0.000	1.844
CHELPG
AIM
ESP

	x	y	z
x	4.762	1.872	0.000
y	1.872	6.043	0.000
z	0.000	0.000	2.224

<r²>	84.530
(<r²>)^1/2	9.194