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	hartrees
Energy at 0K	-957.730005
Energy at 298.15K	-957.730339
HF Energy	-957.730005
Nuclear repulsion energy	136.201376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	748	715	44.57
2	A'	463	443	28.69
3	A'	206	197	2.91

Atom	x (Å)	y (Å)
S1	0.000	0.899
F2	1.688	0.484
Cl3	-0.894	-1.103

	S1	F2	Cl3
S1		1.7386	2.1923
F2	1.7386		3.0305
Cl3	2.1923	3.0305

Number	Element	Mulliken
1	S	0.494
2	F	-0.351
3	Cl	-0.143

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

using model chemistry: HSEh1PBE/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
	-1.059	1.294	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	4.323	1.855	0.000
y	1.855	5.671	0.000
z	0.000	0.000	1.399

<r²>	94.103
(<r²>)^1/2	9.701