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	hartrees
Energy at 0K	-933.607175
Energy at 298.15K	-933.607664
HF Energy	-933.607175
Nuclear repulsion energy	136.341349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1111	1078	69.02
2	A'	456	443	88.96
3	A'	276	268	3.72

Atom	x (Å)	y (Å)
Cl1	-0.709	-1.182
S2	0.000	0.831
O3	1.507	0.850

	Cl1	S2	O3
Cl1		2.1342	3.0059
S2	2.1342		1.5066
O3	3.0059	1.5066

Number	Element	Mulliken
1	Cl	-0.181
2	S	0.490
3	O	-0.308

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

using model chemistry: B3LYPultrafine/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
	-1.211	1.207	0.000	1.710
CHELPG
AIM
ESP

	x	y	z
x	4.698	1.876	0.000
y	1.876	5.933	0.000
z	0.000	0.000	2.142

<r²>	86.265
(<r²>)^1/2	9.288