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	hartrees
Energy at 0K	-933.548158
Energy at 298.15K	-933.548693
HF Energy	-933.548158
Nuclear repulsion energy	139.144074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1170	1114	73.59
2	A'	482	459	105.83
3	A'	295	281	4.52

Atom	x (Å)	y (Å)
Cl1	-0.699	-1.152
S2	0.000	0.810
O3	1.485	0.827

	Cl1	S2	O3
Cl1		2.0829	2.9470
S2	2.0829		1.4848
O3	2.9470	1.4848

Number	Element	Mulliken
1	Cl	-0.190
2	S	0.593
3	O	-0.403

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

using model chemistry: mPW1PW91/6-31G**

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
	-1.235	1.146	0.000	1.685
CHELPG
AIM
ESP

	x	y	z
x	4.687	1.787	0.000
y	1.787	5.806	0.000
z	0.000	0.000	2.342

<r²>	83.588
(<r²>)^1/2	9.143