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	hartrees
Energy at 0K	-933.692263
Energy at 298.15K	-933.692797
HF Energy	-933.692263
Nuclear repulsion energy	139.719733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1181	1140	84.96
2	A'	470	454	98.95
3	A'	296	285	2.86

Atom	x (Å)	y (Å)
Cl1	-0.690	-1.157
S2	0.000	0.811
O3	1.467	0.835

	Cl1	S2	O3
Cl1		2.0853	2.9355
S2	2.0853		1.4667
O3	2.9355	1.4667

Number	Element	Mulliken
1	Cl	-0.202
2	S	0.528
3	O	-0.326

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

using model chemistry: B3LYP/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
	-1.294	0.818	0.000	1.531
CHELPG
AIM
ESP

	x	y	z
x	5.977	1.574	0.000
y	1.574	7.077	0.000
z	0.000	0.000	3.932

<r²>	83.271
(<r²>)^1/2	9.125