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	hartrees
Energy at 0K	-953.439196
Energy at 298.15K	-953.439443
HF Energy	-953.439196
Nuclear repulsion energy	132.604207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	733	721	38.77
2	A'	402	395	22.88
3	A'	186	183	1.83

Atom	x (Å)	y (Å)
S1	0.000	0.917
F2	1.695	0.627
Cl3	-0.897	-1.195

	S1	F2	Cl3
S1		1.7193	2.2946
F2	1.7193		3.1681
Cl3	2.2946	3.1681

Number	Element	Mulliken
1	S	0.420
2	F	-0.253
3	Cl	-0.167

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

using model chemistry: B97D3/3-21G

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
	-0.244	1.485	0.000	1.505
CHELPG
AIM
ESP

	x	y	z
x	4.150	2.165	0.000
y	2.165	5.965	0.000
z	0.000	0.000	1.073

<r²>	99.736
(<r²>)^1/2	9.987