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	hartrees
Energy at 0K	-552.593629
Energy at 298.15K	-552.594174
HF Energy	-552.593629
Nuclear repulsion energy	91.299883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1122	1079	19.94
2	A'	593	571	82.88
3	A'	301	290	11.48

Atom	x (Å)	y (Å)
S1	0.000	0.494
N2	1.496	0.062
F3	-1.164	-0.927

	S1	N2	F3
S1		1.5572	1.8366
N2	1.5572		2.8374
F3	1.8366	2.8374

Number	Element	Mulliken
1	S	0.769
2	N	-0.390
3	F	-0.379

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

using model chemistry: TPSSh/6-31G

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
	-0.147	2.317	0.000	2.322
CHELPG
AIM
ESP

	x	y	z
x	5.297	0.549	0.000
y	0.549	2.669	0.000
z	0.000	0.000	1.610

<r²>	54.628
(<r²>)^1/2	7.391