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	hartrees
Energy at 0K	-957.878076
Energy at 298.15K	-957.878577
HF Energy	-957.878076
Nuclear repulsion energy	145.693820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	792	792	100.30
2	A'	549	549	45.60
3	A'	261	261	1.74

Atom	x (Å)	y (Å)
S1	0.000	0.832
F2	1.600	0.429
Cl3	-0.847	-1.010

	S1	F2	Cl3
S1		1.6501	2.0274
F2	1.6501		2.8392
Cl3	2.0274	2.8392

Number	Element	Mulliken
1	S	0.296
2	F	-0.406
3	Cl	0.109

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

using model chemistry: HSEh1PBE/daug-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
	-0.862	0.478	0.000	0.985
CHELPG
AIM
ESP

	x	y	z
x	5.824	1.122	0.000
y	1.122	6.578	0.000
z	0.000	0.000	4.480

<r²>	84.067
(<r²>)^1/2	9.169