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	hartrees
Energy at 0K	-933.335391
Energy at 298.15K	-933.335970
HF Energy	-933.335391
Nuclear repulsion energy	141.423719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1211	1211	85.20
2	A'	501	501	102.73
3	A'	310	310	2.51

Atom	x (Å)	y (Å)
Cl1	-0.687	-1.133
S2	0.000	0.799
O3	1.460	0.810

	Cl1	S2	O3
Cl1		2.0509	2.8963
S2	2.0509		1.4600
O3	2.8963	1.4600

Number	Element	Mulliken
1	Cl	-0.186
2	S	0.502
3	O	-0.316

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

using model chemistry: HSEh1PBE/cc-pV(T+d)Z

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
	-1.328	0.663	0.000	1.484
CHELPG
AIM
ESP

	x	y	z
x	5.864	1.486	0.000
y	1.486	6.827	0.000
z	0.000	0.000	3.868

<r²>	81.364
(<r²>)^1/2	9.020