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	hartrees
Energy at 0K	-551.408827
Energy at 298.15K	-551.409657
HF Energy	-551.408827
Nuclear repulsion energy	102.550660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1470	1338	15.46
2	A'	789	718	265.63
3	A'	462	420	17.84

Atom	x (Å)	y (Å)
S1	0.000	0.431
N2	1.357	-0.002
F3	-1.056	-0.765

	S1	N2	F3
S1		1.4248	1.5949
N2	1.4248		2.5307
F3	1.5949	2.5307

Number	Element	Mulliken
1	S	0.645
2	N	-0.305
3	F	-0.340

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

using model chemistry: HF/cc-pVTZ

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
	-1.274	1.696	0.000	2.121
CHELPG
AIM
ESP

	x	y	z
x	4.452	-0.024	0.000
y	-0.024	2.768	0.000
z	0.000	0.000	2.271

<r²>	45.925
(<r²>)^1/2	6.777