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	hartrees
Energy at 0K	-49.221439
Energy at 298.15K	-49.221890
HF Energy	-49.221439
Nuclear repulsion energy	33.232496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	768	741	103.40
2	A'	525	507	51.25
3	A'	254	245	2.37

Atom	x (Å)	y (Å)
S1	0.000	0.840
F2	1.609	0.467
Cl3	-0.852	-1.038

	S1	F2	Cl3
S1		1.6511	2.0615
F2	1.6511		2.8840
Cl3	2.0615	2.8840

Number	Element	Mulliken
1	S	0.347
2	F	-0.253
3	Cl	-0.093

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

using model chemistry: B3LYP/CEP-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
	-0.925	0.666	0.000	1.139
CHELPG
AIM
ESP

	x	y	z
x	4.157	1.452	0.000
y	1.452	5.257	0.000
z	0.000	0.000	1.799

<r²>	54.340
(<r²>)^1/2	7.372