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	hartrees
Energy at 0K	-546.082167
Energy at 298.15K	-546.082718
HF Energy	-546.082167
Nuclear repulsion energy	91.852595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1162	1162	8.58
2	A'	663	663	30.03
3	A'	344	344	7.73

Atom	x (Å)	y (Å)
S1	0.000	0.524
N2	1.470	-0.084
F3	-1.143	-0.865

	S1	N2	F3
S1		1.5906	1.7987
N2	1.5906		2.7272
F3	1.7987	2.7272

Number	Element	Mulliken
1	S	0.426
2	N	-0.292
3	F	-0.134

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

using model chemistry: B97D3/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
	-1.192	1.166	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	3.150	0.368	0.000
y	0.368	1.358	0.000
z	0.000	0.000	0.647

<r²>	50.908
(<r²>)^1/2	7.135