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	hartrees
Energy at 0K	-933.694658
Energy at 298.15K	-933.695198
HF Energy	-933.694658
Nuclear repulsion energy	140.079670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1174	1174	79.69
2	A'	476	476	96.63
3	A'	296	296	2.59

Atom	x (Å)	y (Å)
Cl1	-0.692	-1.148
S2	0.000	0.806
O3	1.470	0.827

	Cl1	S2	O3
Cl1		2.0727	2.9286
S2	2.0727		1.4705
O3	2.9286	1.4705

Number	Element	Mulliken
1	Cl	-0.179
2	S	0.486
3	O	-0.307

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

using model chemistry: TPSSh/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
	-1.223	0.721	0.000	1.419
CHELPG
AIM
ESP

	x	y	z
x	5.970	1.569	0.000
y	1.569	6.980	0.000
z	0.000	0.000	3.891

<r²>	82.655
(<r²>)^1/2	9.092