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	hartrees
Energy at 0K	-552.754361
Energy at 298.15K	-552.754993
HF Energy	-552.754361
Nuclear repulsion energy	96.422013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1367	1327	24.75
2	A'	616	598	200.46
3	A'	341	331	13.82

Atom	x (Å)	y (Å)
S1	0.000	0.453
N2	1.425	0.110
F3	-1.108	-0.891

	S1	N2	F3
S1		1.4655	1.7423
N2	1.4655		2.7232
F3	1.7423	2.7232

Number	Element	Mulliken
1	S	0.932
2	N	-0.469
3	F	-0.463

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

using model chemistry: B3LYP/aug-cc-pVDZ

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
	-0.553	2.025	0.000	2.099
CHELPG
AIM
ESP

	x	y	z
x	5.645	0.513	0.000
y	0.513	3.867	0.000
z	0.000	0.000	2.955

<r²>	50.854
(<r²>)^1/2	7.131