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	hartrees
Energy at 0K	-946.847829
Energy at 298.15K	-946.848224
HF Energy	-946.847829
Nuclear repulsion energy	138.854946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	889	812	19.03
2	A'	533	487	27.39
3	A'	247	226	2.86

Atom	x (Å)	y (Å)
S1	0.000	0.891
F2	1.638	0.487
Cl3	-0.867	-1.096

	S1	F2	Cl3
S1		1.6874	2.1683
F2	1.6874		2.9642
Cl3	2.1683	2.9642

Number	Element	Mulliken
1	S	0.308
2	F	-0.069
3	Cl	-0.239

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

using model chemistry: PBEPBE/STO-3G

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
	1.023	1.959	0.000	2.210
CHELPG
AIM
ESP

	x	y	z
x	2.584	1.286	0.000
y	1.286	3.027	0.000
z	0.000	0.000	0.146

<r²>	88.894
(<r²>)^1/2	9.428