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	hartrees
Energy at 0K	-124.809220
Energy at 298.15K	-124.809551
HF Energy	-124.809220
Nuclear repulsion energy	37.427032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	728	728	54.73
2	A'	462	462	24.38
3	A'	212	212	3.51

Atom	x (Å)	y (Å)
S1	0.000	0.910
F2	1.690	0.482
Cl3	-0.894	-1.112

	S1	F2	Cl3
S1		1.7430	2.2111
F2	1.7430		3.0360
Cl3	2.2111	3.0360

Number	Element	Mulliken
1	S	0.518
2	F	-0.384
3	Cl	-0.134

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

using model chemistry: wB97X-D/LANL2DZ

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
	-1.298	1.460	0.000	1.953
CHELPG
AIM
ESP

	x	y	z
x	4.205	1.957	0.000
y	1.957	5.630	0.000
z	0.000	0.000	0.355

<r²>	65.470
(<r²>)^1/2	8.091