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	hartrees
Energy at 0K	-552.744203
Energy at 298.15K	-552.744827
HF Energy	-552.744203
Nuclear repulsion energy	97.413760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1355	1335	20.62
2	A'	591	582	183.13
3	A'	348	343	11.82

Atom	x (Å)	y (Å)
S1	0.000	0.444
N2	1.418	0.104
F3	-1.103	-0.870

	S1	N2	F3
S1		1.4582	1.7150
N2	1.4582		2.7022
F3	1.7150	2.7022

Number	Element	Mulliken
1	S	0.991
2	N	-0.551
3	F	-0.440

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

using model chemistry: B97D3/aug-cc-pVTZ

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
	-0.786	1.711	0.000	1.883
CHELPG
AIM
ESP

	x	y	z
x	5.732	0.472	0.000
y	0.472	3.985	0.000
z	0.000	0.000	3.128

<r²>	49.899
(<r²>)^1/2	7.064