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	hartrees
Energy at 0K	-928.507315
Energy at 298.15K	-928.507611
HF Energy	-928.507315
Nuclear repulsion energy	124.270123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	969	961	35.03
2	A'	372	369	35.27
3	A'	211	209	2.78

Atom	x (Å)	y (Å)
Cl1	-0.761	-1.328
S2	0.000	0.919
O3	1.616	0.983

	Cl1	S2	O3
Cl1		2.3720	3.3148
S2	2.3720		1.6175
O3	3.3148	1.6175

Number	Element	Mulliken
1	Cl	-0.227
2	S	0.562
3	O	-0.335

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

using model chemistry: PBEPBEultrafine/3-21G

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
	-0.292	2.171	0.000	2.191
CHELPG
AIM
ESP

	x	y	z
x	4.766	2.675	0.000
y	2.675	6.973	0.000
z	0.000	0.000	1.405

<r²>	101.530
(<r²>)^1/2	10.076