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	hartrees
Energy at 0K	-552.746472
Energy at 298.15K	-552.747125
HF Energy	-552.746472
Nuclear repulsion energy	98.465077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1371	1371	16.74
2	A'	620	620	177.15
3	A'	359	359	11.61

Atom	x (Å)	y (Å)
S1	0.000	0.433
N2	1.412	0.100
F3	-1.098	-0.847

	S1	N2	F3
S1		1.4506	1.6865
N2	1.4506		2.6831
F3	1.6865	2.6831

Number	Element	Mulliken
1	S	0.549
2	N	-0.281
3	F	-0.269

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

using model chemistry: B97D3/cc-pV(T+d)Z

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
	-1.018	1.513	0.000	1.824
CHELPG
AIM
ESP

	x	y	z
x	4.958	0.356	0.000
y	0.356	3.090	0.000
z	0.000	0.000	2.330

<r²>	48.909
(<r²>)^1/2	6.993