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	hartrees
Energy at 0K	-44.168071
Energy at 298.15K	-44.168715
HF Energy	-44.168071
Nuclear repulsion energy	30.600593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1342	1296	20.54
2	A'	641	619	195.48
3	A'	352	340	14.75

Atom	x (Å)	y (Å)
S1	0.000	0.444
N2	1.428	0.092
F3	-1.110	-0.861

	S1	N2	F3
S1		1.4705	1.7132
N2	1.4705		2.7109
F3	1.7132	2.7109

Number	Element	Mulliken
1	S	0.461
2	N	-0.158
3	F	-0.303

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

using model chemistry: B3LYP/CEP-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
	-0.718	1.902	0.000	2.033
CHELPG
AIM
ESP

	x	y	z
x	4.868	0.391	0.000
y	0.391	2.715	0.000
z	0.000	0.000	1.921

<r²>	39.607
(<r²>)^1/2	6.293