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	hartrees
Energy at 0K	-933.179075
Energy at 298.15K	-933.179545
HF Energy	-933.179075
Nuclear repulsion energy	135.896414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1086	1079	78.03
2	A'	449	446	82.72
3	A'	267	266	2.24

Atom	x (Å)	y (Å)
Cl1	-0.716	-1.178
S2	0.000	0.828
O3	1.522	0.847

	Cl1	S2	O3
Cl1		2.1302	3.0189
S2	2.1302		1.5225
O3	3.0189	1.5225

Number	Element	Mulliken
1	Cl	-0.172
2	S	0.673
3	O	-0.502

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

using model chemistry: PBEPBE/aug-cc-pVDZ

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
	-1.226	0.793	0.000	1.461
CHELPG
AIM
ESP

	x	y	z
x	6.706	1.847	0.000
y	1.847	7.645	0.000
z	0.000	0.000	4.296

<r²>	86.860
(<r²>)^1/2	9.320