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	hartrees
Energy at 0K	-552.444345
Energy at 298.15K	-552.445039
HF Energy	-552.444345
Nuclear repulsion energy	97.702928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1401	1347	18.33
2	A'	681	655	172.32
3	A'	368	354	14.33

Atom	x (Å)	y (Å)
S1	0.000	0.444
N2	1.416	0.085
F3	-1.101	-0.856

	S1	N2	F3
S1		1.4608	1.7038
N2	1.4608		2.6871
F3	1.7038	2.6871

Number	Element	Mulliken
1	S	0.623
2	N	-0.272
3	F	-0.351

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

using model chemistry: HSEh1PBE/cc-pVDZ

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
	-0.744	1.844	0.000	1.988
CHELPG
AIM
ESP

	x	y	z
x	4.473	0.325	0.000
y	0.325	2.482	0.000
z	0.000	0.000	1.775

<r²>	49.299
(<r²>)^1/2	7.021