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	hartrees
Energy at 0K	-429.093850
Energy at 298.15K	-429.096820
Nuclear repulsion energy	205.916568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1807	1729	505.86
2	A₁	806	771	78.49
3	A₁	560	536	0.07
4	E	949	908	313.32
4	E	949	908	313.33
5	E	555	531	17.20
5	E	555	531	17.21
6	E	405	388	0.43
6	E	405	388	0.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.197
O2	0.000	0.000	1.363
F3	0.000	1.266	-0.455
F4	1.096	-0.633	-0.455
F5	-1.096	-0.633	-0.455

	N1	O2	F3	F4	F5
N1		1.1661	1.4236	1.4236	1.4236
O2	1.1661		2.2149	2.2149	2.2149
F3	1.4236	2.2149		2.1926	2.1926
F4	1.4236	2.2149	2.1926		2.1926
F5	1.4236	2.2149	2.1926	2.1926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.225	O2	N1	F4	117.225
O2	N1	F5	117.225	F3	N1	F4	100.722
F3	N1	F5	100.722	F4	N1	F5	100.722

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	N	0.891	0.430
2	O	-0.267	-0.177
3	F	-0.208	-0.084
4	F	-0.208	-0.084
5	F	-0.208	-0.085

	x	y	z	Total
	0.000	0.000	-0.225	0.225
CHELPG
AIM
ESP	0.001	0.003	-0.203	0.203

<r²>	79.586
(<r²>)^1/2	8.921

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

using model chemistry: B3PW91/6-31G*

States and conformations

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