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	hartrees
Energy at 0K	-205.705533
Energy at 298.15K	-205.707695
Nuclear repulsion energy	67.585636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3595	3576	51.75
2	A'	1701	1692	208.72
3	A'	1199	1193	157.37
4	A'	733	729	83.20
5	A'	508	505	150.01
6	A"	565	562	106.92

Atom	x (Å)	y (Å)
H1	1.796	-0.220
O2	0.911	-0.653
N3	0.000	0.544
O4	-1.136	0.205

	H1	O2	N3	O4
H1		0.9851	1.9520	2.9629
O2	0.9851		1.5040	2.2197
N3	1.9520	1.5040		1.1853
O4	2.9629	2.2197	1.1853

Number	Element	Mulliken
1	H	0.321
2	O	-0.138
3	N	-0.199
4	O	0.016

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

using model chemistry: BLYP/6-31+G**

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
	0.234	-1.532	0.000	1.549
CHELPG
AIM
ESP

<r²>	36.300
(<r²>)^1/2	6.025

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

using model chemistry: BLYP/6-31+G**

States and conformations

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