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	hartrees
Energy at 0K	-205.502385
Energy at 298.15K	-205.504633
HF Energy	-205.502385
Nuclear repulsion energy	68.377438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3579	3520	38.70
2	A'	1742	1714	141.00
3	A'	1256	1235	163.01
4	A'	806	793	98.89
5	A'	561	552	95.09
6	A"	603	593	98.42

Atom	x (Å)	y (Å)
H1	1.782	-0.163
O2	0.907	-0.618
N3	0.000	0.533
O4	-1.130	0.172

	H1	O2	N3	O4
H1		0.9855	1.9128	2.9307
O2	0.9855		1.4657	2.1850
N3	1.9128	1.4657		1.1862
O4	2.9307	2.1850	1.1862

Number	Element	Mulliken
1	H	0.400
2	O	-0.438
3	N	0.217
4	O	-0.180

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

using model chemistry: PBEPBEultrafine/6-31G*

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
	1.909	0.548	0.000	1.986
CHELPG
AIM
ESP

	x	y	z
x	3.876	-0.538	-0.005
y	-0.538	1.926	-0.001
z	-0.005	-0.001	1.153

<r²>	34.994
(<r²>)^1/2	5.916

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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