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	hartrees
Energy at 0K	-957.939913
Energy at 298.15K	-957.940428
HF Energy	-957.939913
Nuclear repulsion energy	147.703146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	801	801	106.62
2	A'	555	555	46.16
3	A'	272	272	1.58

Atom	x (Å)	y (Å)
S1	0.000	0.821
F2	1.571	0.443
Cl3	-0.832	-1.007

	S1	F2	Cl3
S1		1.6159	2.0077
F2	1.6159		2.8061
Cl3	2.0077	2.8061

Number	Element	Mulliken
1	S	0.698
2	F	-0.523
3	Cl	-0.175

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

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
	-0.718	0.407	0.000	0.825
CHELPG
AIM
ESP

	x	y	z
x	5.677	1.097	0.000
y	1.097	6.570	0.000
z	0.000	0.000	4.476

<r²>	82.406
(<r²>)^1/2	9.078