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	hartrees
Energy at 0K	-933.542855
Energy at 298.15K	-933.543415
HF Energy	-933.542855
Nuclear repulsion energy	139.334601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1193	1129	102.10
2	A'	493	466	116.76
3	A'	303	287	4.98

Atom	x (Å)	y (Å)
Cl1	-0.697	-1.147
S2	0.000	0.819
O3	1.482	0.800

	Cl1	S2	O3
Cl1		2.0859	2.9222
S2	2.0859		1.4821
O3	2.9222	1.4821

Number	Element	Mulliken
1	Cl	-0.173
2	S	0.506
3	O	-0.333

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

using model chemistry: M06-2X/TZVP

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
	-1.586	1.122	0.000	1.943
CHELPG
AIM
ESP

	x	y	z
x	5.058	1.782	0.000
y	1.782	6.024	0.000
z	0.000	0.000	2.283

<r²>	83.424
(<r²>)^1/2	9.134