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	hartrees
Energy at 0K	-958.198079
Energy at 298.15K	-958.198562
HF Energy	-958.198079
Nuclear repulsion energy	146.506036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	767	83.93
2	A'	531	513	45.89
3	A'	261	252	1.33

Atom	x (Å)	y (Å)
S1	0.000	0.826
F2	1.576	0.475
Cl3	-0.834	-1.028

	S1	F2	Cl3
S1		1.6143	2.0331
F2	1.6143		2.8401
Cl3	2.0331	2.8401

Number	Element	Mulliken
1	S	0.233
2	F	-0.144
3	Cl	-0.089

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

using model chemistry: B3LYP/6-31G(2df,p)

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
	-0.521	0.550	0.000	0.757
CHELPG
AIM
ESP

	x	y	z
x	4.573	1.239	0.000
y	1.239	5.607	0.000
z	0.000	0.000	3.158

<r²>	83.441
(<r²>)^1/2	9.135