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	hartrees
Energy at 0K	-550.794082
Energy at 298.15K	-550.794629
HF Energy	-550.794082
Nuclear repulsion energy	91.553254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1142	1119	18.18
2	A'	605	593	71.13
3	A'	295	289	11.03

Atom	x (Å)	y (Å)
S1	0.000	0.486
N2	1.498	0.077
F3	-1.165	-0.924

	S1	N2	F3
S1		1.5526	1.8291
N2	1.5526		2.8447
F3	1.8291	2.8447

Number	Element	Mulliken
1	S	0.709
2	N	-0.369
3	F	-0.340

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

using model chemistry: LSDA/6-31G

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
	-0.300	2.135	0.000	2.157
CHELPG
AIM
ESP

	x	y	z
x	5.278	0.585	0.000
y	0.585	2.687	0.000
z	0.000	0.000	1.642

<r²>	54.529
(<r²>)^1/2	7.384