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	hartrees
Energy at 0K	-957.776449
Energy at 298.15K	-957.776879
HF Energy	-957.776449
Nuclear repulsion energy	143.548583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	735	731	94.33
2	A'	517	514	45.25
3	A'	241	240	1.34

Atom	x (Å)	y (Å)
S1	0.000	0.836
F2	1.633	0.445
Cl3	-0.864	-1.023

	S1	F2	Cl3
S1		1.6789	2.0501
F2	1.6789		2.8968
Cl3	2.0501	2.8968

Number	Element	Mulliken
1	S	0.485
2	F	-0.356
3	Cl	-0.129

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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
	-0.876	0.414	0.000	0.969
CHELPG
AIM
ESP

	x	y	z
x	5.981	1.234	0.000
y	1.234	6.616	0.000
z	0.000	0.000	4.372

<r²>	86.286
(<r²>)^1/2	9.289