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	hartrees
Energy at 0K	-552.454819
Energy at 298.15K
HF Energy	-552.264174
Nuclear repulsion energy	90.745185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1050	1010	56.17
2	A'	600	577	289.21
3	A'	432	416	41.00

Atom	x (Å)	y (Å)
N1	0.000	0.741
S2	-0.818	-0.593
F3	1.455	0.478

	N1	S2	F3
N1		1.5651	1.4785
S2	1.5651		2.5125
F3	1.4785	2.5125

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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