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	hartrees
Energy at 0K	-957.804527
Energy at 298.15K	-957.805024
HF Energy	-957.804527
Nuclear repulsion energy	146.697554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	825	785	88.60
2	A'	548	521	52.66
3	A'	260	248	2.52

Atom	x (Å)	y (Å)
S1	0.000	0.824
F2	1.582	0.456
Cl3	-0.837	-1.017

	S1	F2	Cl3
S1		1.6238	2.0220
F2	1.6238		2.8323
Cl3	2.0220	2.8323

Number	Element	Mulliken
1	S	0.447
2	F	-0.324
3	Cl	-0.124

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
	-0.652	0.713	0.000	0.966
CHELPG
AIM
ESP

	x	y	z
x	3.937	1.312	0.000
y	1.312	4.940	0.000
z	0.000	0.000	2.285

<r²>	83.312
(<r²>)^1/2	9.128