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	hartrees
Energy at 0K	-552.269833
Energy at 298.15K	-552.270416
HF Energy	-552.269833
Nuclear repulsion energy	92.404561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1154	1103	22.04
2	A'	626	599	98.25
3	A'	315	301	12.94

Atom	x (Å)	y (Å)
S1	0.000	0.492
N2	1.478	0.041
F3	-1.149	-0.906

	S1	N2	F3
S1		1.5449	1.8100
N2	1.5449		2.7923
F3	1.8100	2.7923

Number	Element	Mulliken
1	S	0.804
2	N	-0.398
3	F	-0.406

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

using model chemistry: PBE1PBE/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
	-0.165	2.429	0.000	2.435
CHELPG
AIM
ESP

	x	y	z
x	5.163	0.452	0.000
y	0.452	2.601	0.000
z	0.000	0.000	1.616

<r²>	53.625
(<r²>)^1/2	7.323