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	hartrees
Energy at 0K	-552.473139
Energy at 298.15K	-552.473772
HF Energy	-552.473139
Nuclear repulsion energy	93.522273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1150	1150	25.22
2	A'	674	674	117.84
3	A'	337	337	14.80

Atom	x (Å)	y (Å)
S1	0.000	0.493
N2	1.458	0.002
F3	-1.134	-0.879

	S1	N2	F3
S1		1.5383	1.7799
N2	1.5383		2.7368
F3	1.7799	2.7368

Number	Element	Mulliken
1	S	0.844
2	N	-0.402
3	F	-0.442

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

using model chemistry: M06-2X/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
	-0.183	2.564	0.000	2.570
CHELPG
AIM
ESP

	x	y	z
x	5.029	0.321	0.000
y	0.321	2.539	0.000
z	0.000	0.000	1.619

<r²>	52.543
(<r²>)^1/2	7.249