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	hartrees
Energy at 0K	-933.434703
Energy at 298.15K	-933.435222
HF Energy	-933.434703
Nuclear repulsion energy	138.575901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1155	1109	90.32
2	A'	470	451	107.72
3	A'	291	279	4.63

Atom	x (Å)	y (Å)
Cl1	-0.700	-1.158
S2	0.000	0.815
O3	1.488	0.832

	Cl1	S2	O3
Cl1		2.0938	2.9585
S2	2.0938		1.4885
O3	2.9585	1.4885

Number	Element	Mulliken
1	Cl	-0.103
2	S	0.486
3	O	-0.383

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

using model chemistry: B3PW91/6-31+G**

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
	-1.450	1.030	0.000	1.779
CHELPG
AIM
ESP

	x	y	z
x	5.609	1.877	0.000
y	1.877	6.452	0.000
z	0.000	0.000	3.037

<r²>	84.431
(<r²>)^1/2	9.189