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	hartrees
Energy at 0K	-552.593566
Energy at 298.15K	-552.594257
HF Energy	-552.593566
Nuclear repulsion energy	87.475326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	933	898	39.52
2	A'	715	688	187.16
3	A'	409	393	4.63

Atom	x (Å)	y (Å)
N1	0.000	0.776
S2	-0.835	-0.641
F3	1.485	0.536

	N1	S2	F3
N1		1.6449	1.5044
S2	1.6449		2.6022
F3	1.5044	2.6022

Number	Element	Mulliken
1	N	-0.133
2	S	0.340
3	F	-0.207

All results from a given calculation for FNS (Thionitrosyl fluoride)

using model chemistry: TPSSh/6-31G

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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	x	y	z	Total
	-1.200	-1.133	0.000	1.650
CHELPG
AIM
ESP

	x	y	z
x	4.441	1.773	0.000
y	1.773	3.668	0.000
z	0.000	0.000	1.541

<r²>	58.980
(<r²>)^1/2	7.680