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	hartrees
Energy at 0K	-552.507671
Energy at 298.15K	-552.508289
HF Energy	-552.325634
Nuclear repulsion energy	97.264277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1407	1407	19.63
2	A'	594	594	183.74
3	A'	344	344	17.56

Atom	x (Å)	y (Å)
S1	0.000	0.439
N2	1.420	0.131
F3	-1.105	-0.883

	S1	N2	F3
S1		1.4533	1.7229
N2	1.4533		2.7207
F3	1.7229	2.7207

Number	Element	Mulliken
1	S	0.735
2	N	-0.340
3	F	-0.395

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

using model chemistry: B2PLYP/6-311G*

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
	-0.614	2.105	0.000	2.193
CHELPG
AIM
ESP

	x	y	z
x	4.725	0.492	0.000
y	0.492	2.604	0.000
z	0.000	0.000	1.824

<r²>	50.295
(<r²>)^1/2	7.092