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	hartrees
Energy at 0K	-428.914534
Energy at 298.15K	-428.917210
Nuclear repulsion energy	200.774695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1785	1764	445.52
2	A₁	722	714	79.23
3	A₁	498	493	0.19
4	E	833	823	302.28
4	E	833	823	302.32
5	E	489	484	43.46
5	E	489	484	43.45
6	E	366	362	0.06
6	E	366	362	0.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.214
O2	0.000	0.000	1.383
F3	0.000	1.305	-0.465
F4	1.130	-0.652	-0.465
F5	-1.130	-0.652	-0.465

	N1	O2	F3	F4	F5
N1		1.1696	1.4706	1.4706	1.4706
O2	1.1696		2.2624	2.2624	2.2624
F3	1.4706	2.2624		2.2597	2.2597
F4	1.4706	2.2624	2.2597		2.2597
F5	1.4706	2.2624	2.2597	2.2597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.486	O2	N1	F4	117.486
O2	N1	F5	117.486	F3	N1	F4	100.398
F3	N1	F5	100.398	F4	N1	F5	100.398

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

using model chemistry: PBEPBE/6-31+G**

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	0.279
2	O	0.061
3	F	-0.113
4	F	-0.113
5	F	-0.113

	x	y	z	Total
	0.000	0.000	0.438	0.438
CHELPG
AIM
ESP

<r²>	83.784
(<r²>)^1/2	9.153

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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