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	hartrees
Energy at 0K	-552.486877
Energy at 298.15K	-552.487553
HF Energy	-552.486877
Nuclear repulsion energy	98.536781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1432	1374	20.14
2	A'	642	616	190.56
3	A'	372	357	16.83

Atom	x (Å)	y (Å)
S1	0.000	0.438
N2	1.404	0.096
F3	-1.092	-0.853

	S1	N2	F3
S1		1.4454	1.6914
N2	1.4454		2.6712
F3	1.6914	2.6712

Number	Element	Mulliken
1	S	0.724
2	N	-0.348
3	F	-0.376

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

using model chemistry: HSEh1PBE/6-311G*

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
	-0.768	1.962	0.000	2.107
CHELPG
AIM
ESP

	x	y	z
x	4.657	0.338	0.000
y	0.338	2.546	0.000
z	0.000	0.000	1.844

<r²>	49.079
(<r²>)^1/2	7.006