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	hartrees
Energy at 0K	-192.346522
Energy at 298.15K	-192.345848
HF Energy	-192.346522
Nuclear repulsion energy	55.026231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2099	2087	0.47
2	Σ	899	894	108.92
3	Π	255	253	0.69
3	Π	255	253	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.415
N2	0.000	0.000	-0.213
F3	0.000	0.000	1.109

	C1	N2	F3
C1		1.2021	2.5242
N2	1.2021		1.3221
F3	2.5242	1.3221

Number	Element	Mulliken
1	C	-0.080
2	N	0.128
3	F	-0.048

All results from a given calculation for CNF (iso cyanogen fluoride)

using model chemistry: PBEPBEultrafine/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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<r²>	33.596
(<r²>)^1/2	5.796