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	hartrees
Energy at 0K	-377.747232
Energy at 298.15K	-377.749708
Nuclear repulsion energy	176.886407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1544	1484	161.69
2	A'	1158	1113	209.84
3	A'	1077	1035	7.29
4	A'	802	771	102.43
5	A'	614	590	0.15
6	A'	444	427	3.72
7	A'	259	249	0.72
8	A"	632	608	10.17
9	A"	143	137	0.08

Atom	x (Å)	y (Å)
N1	0.000	0.646
O2	-0.756	-0.757
O3	1.225	0.584
O4	-0.843	1.548
F5	0.333	-1.725

	N1	O2	O3	O4	F5
N1		1.5935	1.2261	1.2345	2.3944
O2	1.5935		2.3917	2.3064	1.4567
O3	1.2261	2.3917		2.2811	2.4757
O4	1.2345	2.3064	2.2811		3.4777
F5	2.3944	1.4567	2.4757	3.4777

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	F5	103.346		O2	N1	O3	115.426
O2	N1	O4	108.619		O3	N1	O4	135.955

All results from a given calculation for FNO₃ (Fluorine nitrate)

using model chemistry: B3PW91/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
	Home All data for one species Geometry Experimental Experimental Geometries Same bond/angle many molecules Internal Coordinates by type Bond angles Calculated Calculated geometry Rotational constant Moments of inertia Products of moments of inertia BSE Bond lengths Show me a calculated geometry Comparisons Bonds, angles Rotational Constants Products of moments of inertia Point group Bad Calculations Bad moment of inertia Tutorials and Explanations Angle formulas Vibrations Experimental Vibrational frequencies Calculated Frequencies Scale factors Reactions Entropies Ions List Ions Energy Calculated Ionization Energy Compare Ionzation energy Electron Affinity Calculated Electron affinity Compare Electron affinity Proton Affinity Calculated Proton affinity Compare Proton affinity Ionization changes point group Experimental One molecule all properties One property a few molecules Enthalpy of formation Entropy Integrated Heat Capacity Heat Capacity Rotational Constants Vibrational Frequencies Dipole moment Ionization Energy Polarizability Quadrupole Point Groups Geometry Experimental Geometries Internal Coordinates by type Bond angles Rotational Constants Point Groups Diatomic bond lengths Vibrations Vibrational frequencies Diatomic Triatomics Energy Atomization Energy Internal Rotation Electrostatics Dipole Quadrupole Polarizability Reference Data Reference states Spin Splittings Molecules with good enthalpy Enthalpy at 0 Kelvin Calculated Energy Optimized Energy Energy 298K Minimum conformation Hydrogen bonds H bond with counterpoise Reaction Reaction Energy 0K Reaction Energy 298K Internal Rotation Barriers to internal rotation Rotational barrier and dipole Rotational Barrier 2 molecules Orbital HOMO LUMO gap HOMO Orbital Energies Nuclear repulsion energy Correlation Full vs Frozen core energies Partial correlation energies Ion Calculated Ionization Energy Vertical ionization Energy Calculated Electron affinity Calculated Proton affinity Atom charge differences Excited State Singlet triplet gap Electronic state Transition state Basis Set Extrapolation BSE energy BSE Bond lengths Geometry Calculated geometry AIM bond orders One type of bond Rotation Rotational constant Products of moments of inertia Moments of inertia Inertial defects Second moments Point group State symmetry <r2> Sorted by r2 Z-matrix Bad Calculations Bad moment of inertia Bad Calculated Bond Lengths Bad point group Worst molecules Vibrations Frequencies Animated vibrations Anharmonic Zero point energy (ZPE) Scale Factors Scale factors Scale factor uncertainty Calculate a scale factor Why scale vibrations Set scaling factors Bad Calculations Bad Vib. 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Number	Element	Mulliken
1	N	0.550
2	O	-0.023
3	O	-0.228
4	O	-0.229
5	F	-0.069

	x	y	z	Total
	0.003	0.219	0.000	0.219
CHELPG
AIM
ESP

<r²>	95.707
(<r²>)^1/2	9.783

All results from a given calculation for FNO3 (Fluorine nitrate)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for FNO₃ (Fluorine nitrate)