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	hartrees
Energy at 0K	-429.286476
Energy at 298.15K	-429.289465
Nuclear repulsion energy	206.838626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1825	1750	577.18
2	A₁	797	764	95.74
3	A₁	565	542	0.02
4	E	932	893	342.46
4	E	931	893	342.43
5	E	552	529	30.65
5	E	552	529	30.74
6	E	412	395	0.88
6	E	412	395	0.89

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.200
O2	0.000	0.000	1.352
F3	0.000	1.262	-0.452
F4	1.093	-0.631	-0.452
F5	-1.093	-0.631	-0.452

	N1	O2	F3	F4	F5
N1		1.1521	1.4208	1.4208	1.4208
O2	1.1521		2.2019	2.2019	2.2019
F3	1.4208	2.2019		2.1864	2.1864
F4	1.4208	2.2019	2.1864		2.1864
F5	1.4208	2.2019	2.1864	2.1864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.321	O2	N1	F4	117.321
O2	N1	F5	117.321	F3	N1	F4	100.604
F3	N1	F5	100.604	F4	N1	F5	100.604

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

using model chemistry: B1B95/6-311G*

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	0.574
2	O	-0.125
3	F	-0.149
4	F	-0.149
5	F	-0.149

	x	y	z	Total
	0.000	0.000	0.075	0.075
CHELPG
AIM
ESP

<r²>	79.433
(<r²>)^1/2	8.913

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

using model chemistry: B1B95/6-311G*

States and conformations

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