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	hartrees
Energy at 0K	-427.486787
Energy at 298.15K	-427.490307
Nuclear repulsion energy	215.703433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1608	1461	701.96
2	A₁	974	885	98.75
3	A₁	705	640	0.30
4	E	1173	1066	352.94
4	E	1173	1066	352.94
5	E	708	643	1.16
5	E	708	643	1.16
6	E	503	457	0.53
6	E	503	457	0.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.158
O2	0.000	0.000	1.322
F3	0.000	1.202	-0.433
F4	1.041	-0.601	-0.433
F5	-1.041	-0.601	-0.433

	N1	O2	F3	F4	F5
N1		1.1641	1.3388	1.3388	1.3388
O2	1.1641		2.1264	2.1264	2.1264
F3	1.3388	2.1264		2.0812	2.0812
F4	1.3388	2.1264	2.0812		2.0812
F5	1.3388	2.1264	2.0812	2.0812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	116.164	O2	N1	F4	116.164
O2	N1	F5	116.164	F3	N1	F4	102.026
F3	N1	F5	102.026	F4	N1	F5	102.026

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

using model chemistry: HF/6-311+G(3df,2p)

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	2.258
2	O	-0.909
3	F	-0.450
4	F	-0.450
5	F	-0.450

	x	y	z	Total
	0.000	0.000	-1.294	1.294
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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