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	hartrees
Energy at 0K	-552.396726
Energy at 298.15K	-552.397327
HF Energy	-552.396726
Nuclear repulsion energy	96.156539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1341	1326	25.30
2	A'	594	587	183.10
3	A'	332	328	12.99

Atom	x (Å)	y (Å)
S1	0.000	0.446
N2	1.436	0.124
F3	-1.117	-0.890

	S1	N2	F3
S1		1.4719	1.7415
N2	1.4719		2.7474
F3	1.7415	2.7474

Number	Element	Mulliken
1	S	0.620
2	N	-0.313
3	F	-0.307

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

using model chemistry: PBEPBE/6-31+G**

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
	-0.561	1.941	0.000	2.021
CHELPG
AIM
ESP

	x	y	z
x	5.795	0.559	0.000
y	0.559	3.460	0.000
z	0.000	0.000	2.482

<r²>	51.211
(<r²>)^1/2	7.156