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	hartrees
Energy at 0K	-164.566606
Energy at 298.15K	-164.567105
HF Energy	-164.566606
Nuclear repulsion energy	41.295432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1127	1084	22.88
2	A'	550	529	106.05
3	A'	288	277	12.03

Atom	x (Å)	y (Å)
S1	0.000	0.508
N2	1.491	0.076
F3	-1.159	-0.962

	S1	N2	F3
S1		1.5520	1.8724
N2	1.5520		2.8460
F3	1.8724	2.8460

Number	Element	Mulliken
1	S	0.788
2	N	-0.351
3	F	-0.437

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

using model chemistry: B3LYP/LANL2DZ

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
	0.136	2.913	0.000	2.916
CHELPG
AIM
ESP

	x	y	z
x	5.577	0.647	0.000
y	0.647	2.653	0.000
z	0.000	0.000	1.142

<r²>	52.577
(<r²>)^1/2	7.251