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	hartrees
Energy at 0K	-548.965711
Energy at 298.15K	-548.966474
HF Energy	-548.570143
Nuclear repulsion energy	89.810588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1035	995	47.93
2	A'	794	763	70.84
3	A'	433	416	2.05

Atom	x (Å)	y (Å)
N1	0.000	0.757
S2	-0.833	-0.580
F3	1.480	0.442

	N1	S2	F3
N1		1.5746	1.5132
S2	1.5746		2.5283
F3	1.5132	2.5283

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

using model chemistry: QCISD/3-21G*

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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