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	hartrees
Energy at 0K	-933.665032
Energy at 298.15K	-933.665498
HF Energy	-933.665032
Nuclear repulsion energy	137.054047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1111	1106	75.86
2	A'	434	432	83.65
3	A'	272	271	2.78

Atom	x (Å)	y (Å)
Cl1	-0.700	-1.186
S2	0.000	0.824
O3	1.488	0.873

	Cl1	S2	O3
Cl1		2.1290	3.0048
S2	2.1290		1.4888
O3	3.0048	1.4888

Number	Element	Mulliken
1	Cl	-0.203
2	S	0.507
3	O	-0.304

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

using model chemistry: BLYP/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
	-1.160	0.894	0.000	1.465
CHELPG
AIM
ESP

	x	y	z
x	6.242	1.748	0.000
y	1.748	7.511	0.000
z	0.000	0.000	4.064

<r²>	86.144
(<r²>)^1/2	9.281