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	hartrees
Energy at 0K	-551.044479
Energy at 298.15K	-551.045174
HF Energy	-551.044479
Nuclear repulsion energy	99.817561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1412	1412	17.20
2	A'	674	674	180.22
3	A'	368	368	11.93

Atom	x (Å)	y (Å)
S1	0.000	0.426
N2	1.400	0.076
F3	-1.089	-0.816

	S1	N2	F3
S1		1.4429	1.6518
N2	1.4429		2.6437
F3	1.6518	2.6437

Number	Element	Mulliken
1	S	0.486
2	N	-0.264
3	F	-0.223

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

using model chemistry: LSDA/cc-pCVTZ

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
	-1.259	1.410	0.000	1.890
CHELPG
AIM
ESP

	x	y	z
x	4.883	0.276	0.000
y	0.276	3.063	0.000
z	0.000	0.000	2.369

<r²>	47.990
(<r²>)^1/2	6.927