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	hartrees
Energy at 0K	-552.804776
Energy at 298.15K	-552.805364
HF Energy	-552.804776
Nuclear repulsion energy	96.978368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1348	1341	20.20
2	A'	564	561	177.72
3	A'	333	331	12.03

Atom	x (Å)	y (Å)
S1	0.000	0.441
N2	1.423	0.131
F3	-1.107	-0.886

	S1	N2	F3
S1		1.4570	1.7289
N2	1.4570		2.7273
F3	1.7289	2.7273

Number	Element	Mulliken
1	S	0.574
2	N	-0.276
3	F	-0.299

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

using model chemistry: BLYP/6-311+G(3df,2p)

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
	-0.807	1.744	0.000	1.921
CHELPG
AIM
ESP

	x	y	z
x	5.744	0.526	0.000
y	0.526	3.946	0.000
z	0.000	0.000	3.045

<r²>	50.582
(<r²>)^1/2	7.112