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	hartrees
Energy at 0K	-546.097849
Energy at 298.15K	-546.098492
HF Energy	-546.097849
Nuclear repulsion energy	94.293717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1171	1034	13.68
2	A'	781	690	36.41
3	A'	378	334	9.65

Atom	x (Å)	y (Å)
S1	0.000	0.517
N2	1.432	-0.139
F3	-1.113	-0.810

	S1	N2	F3
S1		1.5748	1.7322
N2	1.5748		2.6320
F3	1.7322	2.6320

Number	Element	Mulliken
1	S	0.469
2	N	-0.305
3	F	-0.165

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

using model chemistry: B1B95/STO-3G

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
	-1.179	1.289	0.000	1.747
CHELPG
AIM
ESP

	x	y	z
x	2.925	0.205	0.000
y	0.205	1.250	0.000
z	0.000	0.000	0.643

<r²>	48.757
(<r²>)^1/2	6.983