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	hartrees
Energy at 0K	-549.771603
Energy at 298.15K	-549.772260
HF Energy	-549.771603
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1169	1169	16.28
2	A'	672	672	85.51
3	A'	356	356	13.58

Atom	x (Å)	y (Å)
S1	0.000	0.482
N2	1.459	-0.014
F3	-1.135	-0.845

	S1	N2	F3
S1		1.5412	1.7463
N2	1.5412		2.7247
F3	1.7463	2.7247

Number	Element	Mulliken
1	S	0.840
2	N	-0.478
3	F	-0.362

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

using model chemistry: wB97X-D/3-21G

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
	-0.592	1.980	0.000	2.067
CHELPG
AIM
ESP

	x	y	z
x	4.521	0.233	0.000
y	0.233	2.201	0.000
z	0.000	0.000	1.441

<r²>	51.530
(<r²>)^1/2	7.178