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	hartrees
Energy at 0K	-549.681825
Energy at 298.15K	-549.682499
HF Energy	-549.681825
Nuclear repulsion energy	97.247234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1315	1254	11.97
2	A'	675	644	90.34
3	A'	361	344	11.58

Atom	x (Å)	y (Å)
S1	0.000	0.431
N2	1.442	0.093
F3	-1.121	-0.838

	S1	N2	F3
S1		1.4809	1.6933
N2	1.4809		2.7268
F3	1.6933	2.7268

Number	Element	Mulliken
1	S	0.566
2	N	-0.301
3	F	-0.265

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

using model chemistry: PBEPBE/3-21G*

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
	-1.132	1.263	0.000	1.696
CHELPG
AIM
ESP

	x	y	z
x	4.241	0.361	0.000
y	0.361	2.241	0.000
z	0.000	0.000	1.642

<r²>	49.686
(<r²>)^1/2	7.049