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	hartrees
Energy at 0K	-550.958437
Energy at 298.15K	-550.959075
HF Energy	-550.958437
Nuclear repulsion energy	96.723545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1359	1344	23.09
2	A'	640	632	177.47
3	A'	336	332	11.61

Atom	x (Å)	y (Å)
S1	0.000	0.448
N2	1.428	0.101
F3	-1.110	-0.875

	S1	N2	F3
S1		1.4692	1.7271
N2	1.4692		2.7190
F3	1.7271	2.7190

Number	Element	Mulliken
1	S	0.789
2	N	-0.395
3	F	-0.394

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

using model chemistry: LSDA/aug-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
	-0.726	1.795	0.000	1.936
CHELPG
AIM
ESP

	x	y	z
x	5.752	0.505	0.000
y	0.505	3.928	0.000
z	0.000	0.000	3.008

<r²>	50.546
(<r²>)^1/2	7.110