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	hartrees
Energy at 0K	-552.660638
Energy at 298.15K
HF Energy	-552.319178
Nuclear repulsion energy	92.085564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1069	1069	51.25
2	A'	675	675	269.20
3	A'	458	458	15.58

Atom	x (Å)	y (Å)
N1	0.000	0.729
S2	-0.802	-0.595
F3	1.426	0.491

	N1	S2	F3
N1		1.5483	1.4455
S2	1.5483		2.4788
F3	1.4455	2.4788

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

using model chemistry: B2PLYP=FULLultrafine/cc-pCVTZ

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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