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	hartrees
Energy at 0K	-551.420298
Energy at 298.15K	-551.421134
HF Energy	-551.420298
Nuclear repulsion energy	103.230714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1491	1351	16.04
2	A'	795	721	275.57
3	A'	469	425	18.48

Atom	x (Å)	y (Å)
S1	0.000	0.425
N2	1.352	0.004
F3	-1.051	-0.758

	S1	N2	F3
S1		1.4157	1.5829
N2	1.4157		2.5209
F3	1.5829	2.5209

Number	Element	Mulliken
1	S	0.623
2	N	-0.317
3	F	-0.306

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

using model chemistry: HF/Def2TZVPP

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
	-1.388	1.608	0.000	2.124
CHELPG
AIM
ESP

	x	y	z
x	4.575	-0.044	0.000
y	-0.044	2.830	0.000
z	0.000	0.000	2.279

<r²>	45.600
(<r²>)^1/2	6.753