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	hartrees
Energy at 0K	-428.876698
Energy at 298.15K	-428.879462
Nuclear repulsion energy	202.080046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1779	1753	415.63
2	A₁	749	739	66.44
3	A₁	515	507	0.01
4	E	889	876	285.38
4	E	889	876	285.39
5	E	511	503	21.53
5	E	511	503	21.52
6	E	374	368	0.12
6	E	374	368	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.206
O2	0.000	0.000	1.381
F3	0.000	1.293	-0.463
F4	1.120	-0.647	-0.463
F5	-1.120	-0.647	-0.463

	N1	O2	F3	F4	F5
N1		1.1744	1.4561	1.4561	1.4561
O2	1.1744		2.2519	2.2519	2.2519
F3	1.4561	2.2519		2.2400	2.2400
F4	1.4561	2.2519	2.2400		2.2400
F5	1.4561	2.2519	2.2400	2.2400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.355	O2	N1	F4	117.355
O2	N1	F5	117.355	F3	N1	F4	100.561
F3	N1	F5	100.561	F4	N1	F5	100.561

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

using model chemistry: PBEPBE/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	0.768
2	O	-0.212
3	F	-0.185
4	F	-0.185
5	F	-0.185

	x	y	z	Total
	0.000	0.000	0.034	0.034
CHELPG
AIM
ESP

<r²>	82.026
(<r²>)^1/2	9.057

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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