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	hartrees
Energy at 0K	-933.244019
Energy at 298.15K	-933.244612
HF Energy	-933.244019
Nuclear repulsion energy	139.042800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1139	1139	85.78
2	A'	465	465	87.78
3	A'	286	286	2.31

Atom	x (Å)	y (Å)
Cl1	-0.698	-1.157
S2	0.000	0.808
O3	1.483	0.841

	Cl1	S2	O3
Cl1		2.0850	2.9574
S2	2.0850		1.4830
O3	2.9574	1.4830

Number	Element	Mulliken
1	Cl	-0.140
2	S	0.678
3	O	-0.538

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

using model chemistry: PBEPBE/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
	-1.269	0.584	0.000	1.397
CHELPG
AIM
ESP

	x	y	z
x	6.577	1.679	0.000
y	1.679	7.634	0.000
z	0.000	0.000	4.480

<r²>	83.892
(<r²>)^1/2	9.159