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	hartrees
Energy at 0K	-205.746982
Energy at 298.15K	-205.749163
Nuclear repulsion energy	67.714928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3572	3563	22.81
2	A'	1718	1713	182.19
3	A'	1224	1221	163.26
4	A'	746	744	68.07
5	A'	506	505	121.85
6	A"	585	583	106.80

Atom	x (Å)	y (Å)
H1	1.789	-0.243
O2	0.905	-0.668
N3	0.000	0.544
O4	-1.129	0.222

	H1	O2	N3	O4
H1		0.9811	1.9548	2.9554
O2	0.9811		1.5132	2.2209
N3	1.9548	1.5132		1.1741
O4	2.9554	2.2209	1.1741

Number	Element	Mulliken
1	H	0.341
2	O	-0.391
3	N	0.205
4	O	-0.155

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

using model chemistry: BLYP/6-311G*

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
	0.288	-1.477	0.000	1.505
CHELPG
AIM
ESP

<r²>	35.965
(<r²>)^1/2	5.997

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

using model chemistry: BLYP/6-311G*

States and conformations

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