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	hartrees
Energy at 0K	-549.730460
Energy at 298.15K	-549.731089
HF Energy	-549.730460
Nuclear repulsion energy	93.611054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1153	1108	14.08
2	A'	641	616	76.12
3	A'	345	332	12.21

Atom	x (Å)	y (Å)
S1	0.000	0.480
N2	1.474	0.002
F3	-1.147	-0.856

	S1	N2	F3
S1		1.5498	1.7606
N2	1.5498		2.7579
F3	1.7606	2.7579

Number	Element	Mulliken
1	S	0.814
2	N	-0.473
3	F	-0.340

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

using model chemistry: B3PW91/3-21G

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
	-0.591	1.875	0.000	1.966
CHELPG
AIM
ESP

	x	y	z
x	4.609	0.293	0.000
y	0.293	2.237	0.000
z	0.000	0.000	1.445

<r²>	52.188
(<r²>)^1/2	7.224