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	hartrees
Energy at 0K	-957.939474
Energy at 298.15K	-957.939996
HF Energy	-957.939474
Nuclear repulsion energy	147.705010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	801	771	106.35
2	A'	555	534	46.20
3	A'	272	262	1.59

Atom	x (Å)	y (Å)
S1	0.000	0.821
F2	1.571	0.442
Cl3	-0.832	-1.007

	S1	F2	Cl3
S1		1.6160	2.0076
F2	1.6160		2.8058
Cl3	2.0076	2.8058

Number	Element	Mulliken
1	S	0.505
2	F	-0.398
3	Cl	-0.107

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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
	-0.724	0.409	0.000	0.831
CHELPG
AIM
ESP

	x	y	z
x	5.631	1.094	0.000
y	1.094	6.500	0.000
z	0.000	0.000	4.400

<r²>	82.405
(<r²>)^1/2	9.078