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	hartrees
Energy at 0K	-947.363525
Energy at 298.15K	-947.363988
HF Energy	-947.363525
Nuclear repulsion energy	141.165068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	925	813	16.09
2	A'	584	513	27.25
3	A'	265	233	3.45

Atom	x (Å)	y (Å)
S1	0.000	0.882
F2	1.613	0.450
Cl3	-0.854	-1.069

	S1	F2	Cl3
S1		1.6699	2.1296
F2	1.6699		2.8974
Cl3	2.1296	2.8974

Number	Element	Mulliken
1	S	0.342
2	F	-0.105
3	Cl	-0.237

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

using model chemistry: mPW1PW91/STO-3G

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
	0.797	1.917	0.000	2.077
CHELPG
AIM
ESP

	x	y	z
x	2.439	1.204	0.000
y	1.204	2.939	0.000
z	0.000	0.000	0.158

<r²>	86.291
(<r²>)^1/2	9.289