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	hartrees
Energy at 0K	-552.701894
Energy at 298.15K	-552.702588
HF Energy	-552.701894
Nuclear repulsion energy	98.229959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1375	1318	18.55
2	A'	691	662	155.48
3	A'	370	355	13.72

Atom	x (Å)	y (Å)
S1	0.000	0.432
N2	1.421	0.087
F3	-1.105	-0.835

	S1	N2	F3
S1		1.4626	1.6817
N2	1.4626		2.6896
F3	1.6817	2.6896

Number	Element	Mulliken
1	S	0.694
2	N	-0.352
3	F	-0.342

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
	-1.006	1.506	0.000	1.811
CHELPG
AIM
ESP

	x	y	z
x	4.669	0.305	0.000
y	0.305	2.577	0.000
z	0.000	0.000	1.975

<r²>	48.981
(<r²>)^1/2	6.999