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	hartrees
Energy at 0K	-929.148535
Energy at 298.15K	-929.149049
HF Energy	-929.148535
Nuclear repulsion energy	138.602178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1115	1057	51.23
2	A'	471	446	105.09
3	A'	291	276	4.97

Atom	x (Å)	y (Å)
Cl1	-0.704	-1.154
S2	0.000	0.808
O3	1.495	0.837

	Cl1	S2	O3
Cl1		2.0847	2.9664
S2	2.0847		1.4953
O3	2.9664	1.4953

Number	Element	Mulliken
1	Cl	-0.223
2	S	0.566
3	O	-0.343

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

using model chemistry: wB97X-D/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
	-1.063	1.325	0.000	1.699
CHELPG
AIM
ESP

	x	y	z
x	4.296	1.736	0.000
y	1.736	5.428	0.000
z	0.000	0.000	2.007

<r²>	84.218
(<r²>)^1/2	9.177