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	hartrees
Energy at 0K	-545.803925
Energy at 298.15K	-545.804571
HF Energy	-545.803925
Nuclear repulsion energy	94.246012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1178	1039	13.43
2	A'	783	691	37.00
3	A'	380	335	9.71

Atom	x (Å)	y (Å)
S1	0.000	0.517
N2	1.432	-0.138
F3	-1.114	-0.812

	S1	N2	F3
S1		1.5749	1.7337
N2	1.5749		2.6333
F3	1.7337	2.6333

Number	Element	Mulliken
1	S	0.468
2	N	-0.306
3	F	-0.162

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

using model chemistry: PBE1PBE/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
	-1.206	1.287	0.000	1.764
CHELPG
AIM
ESP

	x	y	z
x	2.930	0.208	0.000
y	0.208	1.251	0.000
z	0.000	0.000	0.643

<r²>	48.797
(<r²>)^1/2	6.985