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	hartrees
Energy at 0K	-552.627093
Energy at 298.15K	-552.627852
HF Energy	-552.627093
Nuclear repulsion energy	100.967195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1467	1397	16.30
2	A'	740	704	189.53
3	A'	407	388	13.78

Atom	x (Å)	y (Å)
S1	0.000	0.427
N2	1.384	0.044
F3	-1.076	-0.792

	S1	N2	F3
S1		1.4359	1.6261
N2	1.4359		2.5983
F3	1.6261	2.5983

Number	Element	Mulliken
1	S	0.419
2	N	-0.204
3	F	-0.214

All results from a given calculation for FSN (Thiazyl fluoride)

using model chemistry: M06-2X/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
	-1.262	1.411	0.000	1.893
CHELPG
AIM
ESP

	x	y	z
x	4.447	0.131	0.000
y	0.131	2.859	0.000
z	0.000	0.000	2.395

<r²>	46.817
(<r²>)^1/2	6.842