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	hartrees
Energy at 0K	-552.790853
Energy at 298.15K	-552.791489
HF Energy	-552.790853
Nuclear repulsion energy	97.180096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1380	1330	23.86
2	A'	605	583	208.62
3	A'	352	339	16.52

Atom	x (Å)	y (Å)
S1	0.000	0.450
N2	1.415	0.101
F3	-1.100	-0.879

	S1	N2	F3
S1		1.4572	1.7257
N2	1.4572		2.6994
F3	1.7257	2.6994

Number	Element	Mulliken
1	S	0.591
2	N	-0.250
3	F	-0.341

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

using model chemistry: B3LYPultrafine/TZVP

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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	x	y	z	Total
	-0.591	2.138	0.000	2.218
CHELPG
AIM
ESP

	x	y	z
x	5.185	0.371	0.000
y	0.371	2.923	0.000
z	0.000	0.000	1.951

<r²>	50.224
(<r²>)^1/2	7.087