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	hartrees
Energy at 0K	-933.560930
Energy at 298.15K	-933.561497
HF Energy	-933.560930
Nuclear repulsion energy	140.723288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1199	1199	87.04
2	A'	492	492	102.25
3	A'	304	304	2.83

Atom	x (Å)	y (Å)
Cl1	-0.689	-1.142
S2	0.000	0.802
O3	1.464	0.823

	Cl1	S2	O3
Cl1		2.0631	2.9150
S2	2.0631		1.4640
O3	2.9150	1.4640

Number	Element	Mulliken
1	Cl	-0.134
2	S	0.446
3	O	-0.313

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

using model chemistry: B3PW91/cc-pCVTZ

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
	-1.350	0.685	0.000	1.514
CHELPG
AIM
ESP

	x	y	z
x	5.239	1.642	0.000
y	1.642	6.396	0.000
z	0.000	0.000	3.098

<r²>	81.998
(<r²>)^1/2	9.055