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	hartrees
Energy at 0K	-429.280715
Energy at 298.15K	-429.283261
Nuclear repulsion energy	198.065614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1745	1736	425.71
2	A₁	686	683	74.24
3	A₁	469	467	0.42
4	E	809	804	288.71
4	E	808	804	288.74
5	E	465	463	42.78
5	E	465	463	42.77
6	E	349	347	0.03
6	E	349	347	0.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.221
O2	0.000	0.000	1.393
F3	0.000	1.327	-0.470
F4	1.149	-0.663	-0.470
F5	-1.149	-0.663	-0.470

	N1	O2	F3	F4	F5
N1		1.1724	1.4959	1.4959	1.4959
O2	1.1724		2.2876	2.2876	2.2876
F3	1.4959	2.2876		2.2978	2.2978
F4	1.4959	2.2876	2.2978		2.2978
F5	1.4959	2.2876	2.2978	2.2978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.521	O2	N1	F4	117.521
O2	N1	F5	117.521	F3	N1	F4	100.354
F3	N1	F5	100.354	F4	N1	F5	100.354

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

using model chemistry: BLYP/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	0.281
2	O	0.078
3	F	-0.120
4	F	-0.120
5	F	-0.120

	x	y	z	Total
	0.000	0.000	0.598	0.598
CHELPG
AIM
ESP

<r²>	85.837
(<r²>)^1/2	9.265

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

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

States and conformations

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