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	hartrees
Energy at 0K	-546.058047
Energy at 298.15K	-546.058665
HF Energy	-546.058047
Nuclear repulsion energy	93.493527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1143	1020	12.27
2	A'	756	675	34.99
3	A'	368	329	9.21

Atom	x (Å)	y (Å)
S1	0.000	0.520
N2	1.444	-0.133
F3	-1.123	-0.821

	S1	N2	F3
S1		1.5850	1.7496
N2	1.5850		2.6575
F3	1.7496	2.6575

Number	Element	Mulliken
1	S	0.462
2	N	-0.306
3	F	-0.156

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

using model chemistry: B3LYP/STO-3G

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
	-1.218	1.283	0.000	1.769
CHELPG
AIM
ESP

	x	y	z
x	2.987	0.230	0.000
y	0.230	1.276	0.000
z	0.000	0.000	0.646

<r²>	49.400
(<r²>)^1/2	7.028