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	hartrees
Energy at 0K	-958.143405
Energy at 298.15K	-958.143809
HF Energy	-958.143405
Nuclear repulsion energy	143.973547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	764	749	82.70
2	A'	486	476	49.91
3	A'	241	237	1.70

Atom	x (Å)	y (Å)
S1	0.000	0.832
F2	1.612	0.493
Cl3	-0.853	-1.044

	S1	F2	Cl3
S1		1.6470	2.0611
F2	1.6470		2.9050
Cl3	2.0611	2.9050

Number	Element	Mulliken
1	S	0.418
2	F	-0.298
3	Cl	-0.119

All results from a given calculation for SFCl (Sulfur chloride fluoride)

using model chemistry: B97D3/6-31G*

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
	-0.610	0.717	0.000	0.942
CHELPG
AIM
ESP

	x	y	z
x	4.145	1.451	0.000
y	1.451	5.178	0.000
z	0.000	0.000	2.277

<r²>	85.984
(<r²>)^1/2	9.273