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	hartrees
Energy at 0K	-551.902197
Energy at 298.15K	-551.903048
HF Energy	-551.266412
Nuclear repulsion energy	93.402179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1106	1041	58.70
2	A'	879	828	181.68
3	A'	491	463	2.07

Atom	x (Å)	y (Å)
N1	0.000	0.728
S2	-0.773	-0.620
F3	1.375	0.535

	N1	S2	F3
N1		1.5538	1.3882
S2	1.5538		2.4389
F3	1.3882	2.4389

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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