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	hartrees
Energy at 0K	-426.789794
Energy at 298.15K	-426.792568
Nuclear repulsion energy	198.872622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1522	1453	345.06
2	A₁	770	735	28.68
3	A₁	481	459	2.72
4	E	977	932	247.52
4	E	977	932	247.55
5	E	535	511	0.08
5	E	535	511	0.08
6	E	344	328	0.51
6	E	344	328	0.51

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.214
O2	0.000	0.000	1.412
F3	0.000	1.309	-0.474
F4	1.134	-0.655	-0.474
F5	-1.134	-0.655	-0.474

	N1	O2	F3	F4	F5
N1		1.1973	1.4790	1.4791	1.4791
O2	1.1973		2.2954	2.2954	2.2954
F3	1.4790	2.2954		2.2677	2.2677
F4	1.4791	2.2954	2.2677		2.2677
F5	1.4791	2.2954	2.2677	2.2677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.724	O2	N1	F4	117.724
O2	N1	F5	117.724	F3	N1	F4	100.101
F3	N1	F5	100.101	F4	N1	F5	100.101

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

using model chemistry: mPW1PW91/3-21G

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	0.634
2	O	-0.242
3	F	-0.131
4	F	-0.131
5	F	-0.131

	x	y	z	Total
	0.000	0.000	-0.036	0.036
CHELPG
AIM
ESP

<r²>	84.281
(<r²>)^1/2	9.180

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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