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	hartrees
Energy at 0K	-427.320567
Energy at 298.15K	-427.324033
Nuclear repulsion energy	214.089631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1665	1503	682.51
2	A₁	966	872	83.64
3	A₁	687	620	1.37
4	E	1191	1075	369.16
4	E	1191	1075	369.16
5	E	693	625	0.06
5	E	693	625	0.06
6	E	490	443	0.44
6	E	490	443	0.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.161
O2	0.000	0.000	1.333
F3	0.000	1.210	-0.437
F4	1.048	-0.605	-0.437
F5	-1.048	-0.605	-0.437

	N1	O2	F3	F4	F5
N1		1.1717	1.3496	1.3496	1.3496
O2	1.1717		2.1439	2.1439	2.1439
F3	1.3496	2.1439		2.0952	2.0952
F4	1.3496	2.1439	2.0952		2.0952
F5	1.3496	2.1439	2.0952	2.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	116.320	O2	N1	F4	116.320
O2	N1	F5	116.320	F3	N1	F4	101.837
F3	N1	F5	101.837	F4	N1	F5	101.837

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

using model chemistry: HF/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	CHELPG
1	N	1.262	0.701
2	O	-0.453	-0.392
3	F	-0.269	-0.103
4	F	-0.269	-0.103
5	F	-0.269	-0.103

<r²>	75.046
(<r²>)^1/2	8.663

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

using model chemistry: HF/6-31G**

States and conformations

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