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	hartrees
Energy at 0K	-429.176141
Energy at 298.15K	-429.179155
Nuclear repulsion energy	206.886618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1834	1758	558.88
2	A₁	802	768	90.31
3	A₁	569	546	0.01
4	E	939	900	335.65
4	E	939	900	335.65
5	E	554	531	27.20
5	E	554	531	27.20
6	E	415	397	0.73
6	E	415	397	0.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.198
O2	0.000	0.000	1.355
F3	0.000	1.261	-0.453
F4	1.092	-0.630	-0.453
F5	-1.092	-0.630	-0.453

	N1	O2	F3	F4	F5
N1		1.1570	1.4184	1.4184	1.4184
O2	1.1570		2.2034	2.2034	2.2034
F3	1.4184	2.2034		2.1836	2.1836
F4	1.4184	2.2034	2.1836		2.1836
F5	1.4184	2.2034	2.1836	2.1836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.278	O2	N1	F4	117.278
O2	N1	F5	117.278	F3	N1	F4	100.657
F3	N1	F5	100.657	F4	N1	F5	100.657

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

using model chemistry: mPW1PW91/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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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	0.530
2	O	-0.120
3	F	-0.137
4	F	-0.137
5	F	-0.137

	x	y	z	Total
	0.000	0.000	-0.040	0.040
CHELPG
AIM
ESP

<r²>	79.198
(<r²>)^1/2	8.899

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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