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	hartrees
Energy at 0K	-958.068741
Energy at 298.15K	-958.069271
HF Energy	-958.068741
Nuclear repulsion energy	147.268938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	862	820	93.01
2	A'	556	529	50.37
3	A'	270	257	2.97

Atom	x (Å)	y (Å)
S1	0.000	0.831
F2	1.566	0.436
Cl3	-0.829	-1.013

	S1	F2	Cl3
S1		1.6151	2.0225
F2	1.6151		2.7996
Cl3	2.0225	2.7996

Number	Element	Mulliken
1	S	0.476
2	F	-0.342
3	Cl	-0.133

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

using model chemistry: M06-2X/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
	-0.671	0.834	0.000	1.071
CHELPG
AIM
ESP

	x	y	z
x	3.854	1.287	0.000
y	1.287	4.959	0.000
z	0.000	0.000	2.305

<r²>	82.612
(<r²>)^1/2	9.089