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	hartrees
Energy at 0K	-551.001720
Energy at 298.15K	-551.002362
HF Energy	-551.001720
Nuclear repulsion energy	97.498478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1376	1360	23.17
2	A'	623	616	187.34
3	A'	348	344	14.36

Atom	x (Å)	y (Å)
S1	0.000	0.446
N2	1.416	0.093
F3	-1.102	-0.865

	S1	N2	F3
S1		1.4595	1.7118
N2	1.4595		2.6938
F3	1.7118	2.6938

Number	Element	Mulliken
1	S	0.542
2	N	-0.249
3	F	-0.293

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

using model chemistry: LSDA/TZVP

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
	-0.753	1.918	0.000	2.061
CHELPG
AIM
ESP

	x	y	z
x	5.290	0.369	0.000
y	0.369	2.985	0.000
z	0.000	0.000	1.981

<r²>	49.941
(<r²>)^1/2	7.067