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	hartrees
Energy at 0K	-551.338305
Energy at 298.15K
HF Energy	-551.338305
Nuclear repulsion energy	101.366889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1486	1486	16.30
2	A'	763	763	254.03
3	A'	443	443	20.36

Atom	x (Å)	y (Å)
S1	0.000	0.434
N2	1.367	0.038
F3	-1.063	-0.802

	S1	N2	F3
S1		1.4228	1.6302
N2	1.4228		2.5706
F3	1.6302	2.5706

Number	Element	Mulliken
1	S	0.778
2	N	-0.339
3	F	-0.438

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

using model chemistry: HF/cc-pV(D+d)Z

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
	-0.936	1.987	0.000	2.196
CHELPG
AIM
ESP

	x	y	z
x	4.106	0.077	0.000
y	0.077	2.260	0.000
z	0.000	0.000	1.777

<r²>	46.807
(<r²>)^1/2	6.842