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	hartrees
Energy at 0K	-958.261788
Energy at 298.15K	-958.262324
HF Energy	-958.261788
Nuclear repulsion energy	148.209555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	810	810	111.18
2	A'	564	564	46.75
3	A'	278	278	1.64

Atom	x (Å)	y (Å)
S1	0.000	0.818
F2	1.563	0.447
Cl3	-0.827	-1.007

	S1	F2	Cl3
S1		1.6064	2.0039
F2	1.6064		2.7974
Cl3	2.0039	2.7974

Number	Element	Mulliken
1	S	0.643
2	F	-0.482
3	Cl	-0.161

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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
	-0.665	0.413	0.000	0.782
CHELPG
AIM
ESP

	x	y	z
x	5.603	1.064	0.000
y	1.064	6.504	0.000
z	0.000	0.000	4.454

<r²>	81.937
(<r²>)^1/2	9.052