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	hartrees
Energy at 0K	-933.682394
Energy at 298.15K	-933.682920
HF Energy	-933.682394
Nuclear repulsion energy	138.667754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1161	1122	83.66
2	A'	470	454	97.46
3	A'	291	281	3.14

Atom	x (Å)	y (Å)
Cl1	-0.696	-1.164
S2	0.000	0.819
O3	1.478	0.837

	Cl1	S2	O3
Cl1		2.1012	2.9548
S2	2.1012		1.4786
O3	2.9548	1.4786

Number	Element	Mulliken
1	Cl	-0.158
2	S	0.489
3	O	-0.331

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

using model chemistry: B3LYPultrafine/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
	-1.336	0.893	0.000	1.606
CHELPG
AIM
ESP

	x	y	z
x	5.310	1.741	0.000
y	1.741	6.571	0.000
z	0.000	0.000	3.031

<r²>	84.154
(<r²>)^1/2	9.174