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	hartrees
Energy at 0K	-552.764338
Energy at 298.15K	-552.765047
HF Energy	-552.764338
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1447	1447	20.70
2	A'	662	662	229.19
3	A'	390	390	14.19

Atom	x (Å)	y (Å)
S1	0.000	0.432
N2	1.387	0.066
F3	-1.079	-0.818

	S1	N2	F3
S1		1.4342	1.6510
N2	1.4342		2.6192
F3	1.6510	2.6192

Number	Element	Mulliken
1	S	1.244
2	N	-0.775
3	F	-0.469

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

using model chemistry: wB97X-D/aug-cc-pVQZ

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
	-1.128	1.595	0.000	1.954
CHELPG
AIM
ESP

	x	y	z
x	5.336	0.278	0.000
y	0.278	3.730	0.000
z	0.000	0.000	3.088

<r²>	47.748
(<r²>)^1/2	6.910