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	hartrees
Energy at 0K	-958.243998
Energy at 298.15K	-958.244531
HF Energy	-958.243998
Nuclear repulsion energy	147.714261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	810	775	109.49
2	A'	561	537	46.45
3	A'	276	264	1.69

Atom	x (Å)	y (Å)
S1	0.000	0.822
F2	1.568	0.444
Cl3	-0.830	-1.009

	S1	F2	Cl3
S1		1.6130	2.0104
F2	1.6130		2.8037
Cl3	2.0104	2.8037

Number	Element	Mulliken
1	S	0.503
2	F	-0.395
3	Cl	-0.108

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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
x	5.628	1.067	0.000
y	1.067	6.487	0.000
z	0.000	0.000	4.432

<r²>	82.343
(<r²>)^1/2	9.074