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	hartrees
Energy at 0K	-304.855749
Energy at 298.15K	-304.857268
HF Energy	-304.855749
Nuclear repulsion energy	118.835825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1837	1758	230.76
2	A'	970	929	15.80
3	A'	841	805	82.21
4	A'	426	408	122.44
5	A'	233	223	0.57
6	A"	420	402	0.25

Atom	x (Å)	y (Å)
F1	1.315	0.357
O2	0.000	0.891
N3	-0.983	-0.106
O4	-0.619	-1.199

	F1	O2	N3	O4
F1		1.4192	2.3442	2.4814
O2	1.4192		1.4009	2.1800
N3	2.3442	1.4009		1.1520
O4	2.4814	2.1800	1.1520

Number	Element	Mulliken
1	F	-0.121
2	O	0.051
3	N	0.137
4	O	-0.067

All results from a given calculation for FONO (Nitrosyl hypofluorite)

using model chemistry: B1B95/TZVP

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.657	-0.076	0.000	0.661
CHELPG
AIM
ESP

	x	y	z
x	3.593	0.565	0.000
y	0.565	3.460	0.000
z	0.000	0.000	1.489

<r²>	57.572
(<r²>)^1/2	7.588