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	hartrees
Energy at 0K	-205.687196
Energy at 298.15K	-205.689391
HF Energy	-205.687196
Nuclear repulsion energy	68.562232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3616	54.38
2	A'	1744	1718	211.78
3	A'	1228	1209	153.12
4	A'	751	740	78.55
5	A'	517	509	174.37
6	A"	578	570	89.11

Atom	x (Å)	y (Å)
H1	1.771	-0.226
O2	0.897	-0.652
N3	0.000	0.534
O4	-1.118	0.213

	H1	O2	N3	O4
H1		0.9726	1.9278	2.9229
O2	0.9726		1.4870	2.1928
N3	1.9278	1.4870		1.1637
O4	2.9229	2.1928	1.1637

Number	Element	Mulliken
1	H	0.223
2	O	-0.234
3	N	0.229
4	O	-0.217

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

using model chemistry: B97D3/aug-cc-pVTZ

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
	1.570	0.646	0.000	1.698
CHELPG
AIM
ESP

	x	y	z
x	4.655	-0.721	0.000
y	-0.721	3.102	0.000
z	0.000	0.000	2.247

<r²>	35.427
(<r²>)^1/2	5.952

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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