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	hartrees
Energy at 0K	-548.236870
Energy at 298.15K	-548.237583
HF Energy	-548.236870
Nuclear repulsion energy	98.751569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1360	1336	12.06
2	A'	727	714	97.29
3	A'	374	367	12.50

Atom	x (Å)	y (Å)
S1	0.000	0.424
N2	1.425	0.074
F3	-1.108	-0.811

	S1	N2	F3
S1		1.4670	1.6592
N2	1.4670		2.6830
F3	1.6592	2.6830

Number	Element	Mulliken
1	S	0.539
2	N	-0.287
3	F	-0.252

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

using model chemistry: LSDA/3-21G*

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
	-1.254	1.205	0.000	1.739
CHELPG
AIM
ESP

	x	y	z
x	4.107	0.293	0.000
y	0.293	2.175	0.000
z	0.000	0.000	1.646

<r²>	48.536
(<r²>)^1/2	6.967