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	hartrees
Energy at 0K	-429.054659
Energy at 298.15K	-429.057398
HF Energy	-429.054659
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1793	1758	427.40
2	A₁	737	722	68.32
3	A₁	510	500	0.09
4	E	879	862	282.85
4	E	879	862	282.99
5	E	502	492	28.17
5	E	502	492	28.16
6	E	375	368	0.06
6	E	375	368	0.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.208
O2	0.000	0.000	1.376
F3	0.000	1.297	-0.462
F4	1.123	-0.648	-0.462
F5	-1.123	-0.648	-0.462

	N1	O2	F3	F4	F5
N1		1.1680	1.4593	1.4593	1.4593
O2	1.1680		2.2489	2.2489	2.2489
F3	1.4593	2.2489		2.2461	2.2461
F4	1.4593	2.2489	2.2461		2.2461
F5	1.4593	2.2489	2.2461	2.2461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.085	O2	N1	F4	117.085
O2	N1	F5	117.085	F3	N1	F4	100.896
F3	N1	F5	100.896	F4	N1	F5	100.896

All results from a given calculation for F₃NO (Nitrogen trifluoride oxide)

using model chemistry: B97D3/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.811
2	O	-0.217
3	F	-0.198
4	F	-0.198
5	F	-0.198

	x	y	z	Total
	0.000	0.000	0.117	0.117
CHELPG
AIM
ESP

<r²>	82.074
(<r²>)^1/2	9.059

All results from a given calculation for F3NO (Nitrogen trifluoride oxide)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for F₃NO (Nitrogen trifluoride oxide)