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	hartrees
Energy at 0K	-429.263369
Energy at 298.15K	-429.266058
Nuclear repulsion energy	201.008220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1723	1713	380.22
2	A₁	718	714	61.53
3	A₁	499	496	0.14
4	E	851	846	245.15
4	E	851	846	245.12
5	E	486	484	30.06
5	E	486	484	30.06
6	E	368	366	0.07
6	E	368	366	0.07

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.212
O2	0.000	0.000	1.384
F3	0.000	1.302	-0.465
F4	1.128	-0.651	-0.465
F5	-1.128	-0.651	-0.465

	N1	O2	F3	F4	F5
N1		1.1714	1.4677	1.4677	1.4677
O2	1.1714		2.2612	2.2612	2.2612
F3	1.4677	2.2612		2.2553	2.2553
F4	1.4677	2.2612	2.2553		2.2553
F5	1.4677	2.2612	2.2553	2.2553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.482	O2	N1	F4	117.482
O2	N1	F5	117.482	F3	N1	F4	100.402
F3	N1	F5	100.402	F4	N1	F5	100.402

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.590
2	O	-0.177
3	F	-0.138
4	F	-0.138
5	F	-0.138

	x	y	z	Total
	0.000	0.000	0.125	0.125
CHELPG
AIM
ESP

<r²>	82.769
(<r²>)^1/2	9.098

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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