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	hartrees
Energy at 0K	-551.487786
Energy at 298.15K	-551.488429
HF Energy	-551.137545
Nuclear repulsion energy	86.245853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	858	827	38.72
2	A'	683	658	120.85
3	A'	394	380	3.21

Atom	x (Å)	y (Å)
N1	0.000	0.795
S2	-0.847	-0.646
F3	1.505	0.530

	N1	S2	F3
N1		1.6719	1.5281
S2	1.6719		2.6295
F3	1.5281	2.6295

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

using model chemistry: QCISD/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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