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	hartrees
Energy at 0K	-205.785980
Energy at 298.15K	-205.788273
Nuclear repulsion energy	69.831413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3775	3650	80.12
2	A'	1783	1724	176.66
3	A'	1301	1259	180.19
4	A'	818	791	137.12
5	A'	619	599	146.18
6	A"	587	568	100.66

Atom	x (Å)	y (Å)
H1	1.762	-0.182
O2	0.890	-0.600
N3	0.000	0.517
O4	-1.110	0.170

	H1	O2	N3	O4
H1		0.9676	1.8957	2.8933
O2	0.9676		1.4284	2.1426
N3	1.8957	1.4284		1.1627
O4	2.8933	2.1426	1.1627

Number	Element	Mulliken
1	H	0.260
2	O	-0.338
3	N	0.297
4	O	-0.218

All results from a given calculation for HNO₂ (Nitrous acid)

using model chemistry: B3LYP/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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	1.930	0.583	0.000	2.016
CHELPG
AIM
ESP

	x	y	z
x	4.317	-0.542	0.000
y	-0.542	2.756	0.000
z	0.000	0.000	2.068

<r²>	34.392
(<r²>)^1/2	5.864

All results from a given calculation for HNO2 (Nitrous acid)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for HNO₂ (Nitrous acid)