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	hartrees
Energy at 0K	-933.742561
Energy at 298.15K	-933.743140
HF Energy	-933.742561
Nuclear repulsion energy	141.742224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1212	1160	85.71
2	A'	503	481	104.36
3	A'	309	296	2.55

Atom	x (Å)	y (Å)
Cl1	-0.686	-1.130
S2	0.000	0.797
O3	1.458	0.806

	Cl1	S2	O3
Cl1		2.0455	2.8884
S2	2.0455		1.4580
O3	2.8884	1.4580

Number	Element	Mulliken
1	Cl	-0.175
2	S	0.489
3	O	-0.314

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

using model chemistry: B1B95/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
	-1.345	0.664	0.000	1.500
CHELPG
AIM
ESP

	x	y	z
x	5.834	1.484	0.000
y	1.484	6.785	0.000
z	0.000	0.000	3.844

<r²>	80.974
(<r²>)^1/2	8.999