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	hartrees
Energy at 0K	-192.616877
Energy at 298.15K	-192.616144
HF Energy	-192.616877
Nuclear repulsion energy	55.857280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2184	2184	7.86
2	Σ	947	947	103.68
3	Π	229	229	1.02
3	Π	229	229	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.391
N2	0.000	0.000	-0.214
F3	0.000	0.000	1.094

	C1	N2	F3
C1		1.1769	2.4855
N2	1.1769		1.3086
F3	2.4855	1.3086

Number	Element	Mulliken
1	C	0.011
2	N	0.137
3	F	-0.149

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

using model chemistry: TPSSh/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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<r²>	33.112
(<r²>)^1/2	5.754