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	hartrees
Energy at 0K	-552.744355
Energy at 298.15K	-552.745057
HF Energy	-552.744355
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1435	1373	21.45
2	A'	656	628	228.46
3	A'	385	368	14.11

Atom	x (Å)	y (Å)
S1	0.000	0.436
N2	1.391	0.065
F3	-1.082	-0.826

	S1	N2	F3
S1		1.4395	1.6625
N2	1.4395		2.6285
F3	1.6625	2.6285

Number	Element	Mulliken
1	S	1.001
2	N	-0.576
3	F	-0.424

All results from a given calculation for FSN (Thiazyl 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	Total
	-1.040	1.680	0.000	1.975
CHELPG
AIM
ESP

	x	y	z
x	5.381	0.305	0.000
y	0.305	3.750	0.000
z	0.000	0.000	3.062

<r²>	48.099
(<r²>)^1/2	6.935