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	hartrees
Energy at 0K	-552.178217
Energy at 298.15K	-552.179051
HF Energy	-551.365034
Nuclear repulsion energy	93.456045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1122	1122	55.49
2	A'	818	818	238.25
3	A'	486	486	4.67

Atom	x (Å)	y (Å)
N1	0.000	0.724
S2	-0.780	-0.606
F3	1.386	0.515

	N1	S2	F3
N1		1.5421	1.4019
S2	1.5421		2.4391
F3	1.4019	2.4391

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

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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