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	hartrees
Energy at 0K	-957.699979
Energy at 298.15K	-957.700400
HF Energy	-957.699979
Nuclear repulsion energy	144.283158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	771	758	79.81
2	A'	508	500	49.71
3	A'	239	235	1.84

Atom	x (Å)	y (Å)
S1	0.000	0.828
F2	1.613	0.488
Cl3	-0.854	-1.038

	S1	F2	Cl3
S1		1.6481	2.0523
F2	1.6481		2.9005
Cl3	2.0523	2.9005

Number	Element	Mulliken
1	S	0.396
2	F	-0.284
3	Cl	-0.112

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

using model chemistry: PBEPBEultrafine/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
	-0.556	0.643	0.000	0.850
CHELPG
AIM
ESP

	x	y	z
x	4.163	1.441	0.000
y	1.441	5.153	0.000
z	0.000	0.000	2.302

<r²>	85.789
(<r²>)^1/2	9.262