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	hartrees
Energy at 0K	-933.689099
Energy at 298.15K	-933.689627
HF Energy	-933.689099
Nuclear repulsion energy	139.128125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1155	1115	83.44
2	A'	472	456	94.93
3	A'	291	281	2.63

Atom	x (Å)	y (Å)
Cl1	-0.697	-1.153
S2	0.000	0.813
O3	1.482	0.825

	Cl1	S2	O3
Cl1		2.0866	2.9437
S2	2.0866		1.4822
O3	2.9437	1.4822

Number	Element	Mulliken
1	Cl	-0.164
2	S	0.712
3	O	-0.547

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

using model chemistry: TPSSh/aug-cc-pVTZ

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
	-1.276	0.715	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	6.442	1.631	0.000
y	1.631	7.386	0.000
z	0.000	0.000	4.325

<r²>	83.579
(<r²>)^1/2	9.142