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	hartrees
Energy at 0K	-552.701212
Energy at 298.15K	-552.701903
HF Energy	-552.701212
Nuclear repulsion energy	99.758159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1438	1376	20.73
2	A'	650	622	211.78
3	A'	379	362	13.20

Atom	x (Å)	y (Å)
S1	0.000	0.430
N2	1.394	0.080
F3	-1.084	-0.827

	S1	N2	F3
S1		1.4374	1.6604
N2	1.4374		2.6393
F3	1.6604	2.6393

Number	Element	Mulliken
1	S	0.584
2	N	-0.317
3	F	-0.268

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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
x	5.295	0.321	0.000
y	0.321	3.627	0.000
z	0.000	0.000	2.928

<r²>	48.155
(<r²>)^1/2	6.939