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	hartrees
Energy at 0K	-48.348820
Energy at 298.15K	-48.349272
HF Energy	-48.348820
Nuclear repulsion energy	31.952092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	789	720	79.75
2	A'	516	471	31.34
3	A'	241	220	5.23

Atom	x (Å)	y (Å)
S1	0.000	0.901
F2	1.659	0.430
Cl3	-0.878	-1.075

	S1	F2	Cl3
S1		1.7247	2.1624
F2	1.7247		2.9508
Cl3	2.1624	2.9508

Number	Element	Mulliken
1	S	0.623
2	F	-0.456
3	Cl	-0.167

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

using model chemistry: HF/CEP-121G

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
	-1.669	1.606	0.000	2.316
CHELPG
AIM
ESP

	x	y	z
x	4.663	1.910	0.000
y	1.910	6.148	0.000
z	0.000	0.000	1.612

<r²>	57.709
(<r²>)^1/2	7.597