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	hartrees
Energy at 0K	-429.055020
Energy at 298.15K	-429.058067
HF Energy	-429.055020
Nuclear repulsion energy	207.473479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1802	1732	571.84
2	A₁	813	782	95.28
3	A₁	576	554	0.02
4	E	932	896	330.77
4	E	932	896	330.80
5	E	564	542	32.40
5	E	564	542	32.39
6	E	419	403	0.63
6	E	419	403	0.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.197
O2	0.000	0.000	1.349
F3	0.000	1.258	-0.451
F4	1.089	-0.629	-0.451
F5	-1.089	-0.629	-0.451

	N1	O2	F3	F4	F5
N1		1.1517	1.4151	1.4151	1.4151
O2	1.1517		2.1959	2.1959	2.1959
F3	1.4151	2.1959		2.1789	2.1789
F4	1.4151	2.1959	2.1789		2.1789
F5	1.4151	2.1959	2.1789	2.1789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.259	O2	N1	F4	117.259
O2	N1	F5	117.259	F3	N1	F4	100.681
F3	N1	F5	100.681	F4	N1	F5	100.681

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.550
2	O	-0.158
3	F	-0.131
4	F	-0.131
5	F	-0.131

	x	y	z	Total
	0.000	0.000	-0.085	0.085
CHELPG
AIM
ESP

<r²>	78.996
(<r²>)^1/2	8.888

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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