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	hartrees
Energy at 0K	-204.457148
Energy at 298.15K	-204.459391
Nuclear repulsion energy	66.831855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3480	3339	24.21
2	A'	1506	1444	51.60
3	A'	1230	1180	190.40
4	A'	869	834	113.94
5	A'	572	548	30.79
6	A"	557	534	121.31

Atom	x (Å)	y (Å)
H1	1.813	-0.178
O2	0.926	-0.638
N3	0.000	0.551
O4	-1.153	0.178

	H1	O2	N3	O4
H1		0.9987	1.9541	2.9873
O2	0.9987		1.5070	2.2335
N3	1.9541	1.5070		1.2119
O4	2.9873	2.2335	1.2119

Number	Element	Mulliken
1	H	0.353
2	O	-0.393
3	N	0.315
4	O	-0.276

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

using model chemistry: B3PW91/3-21G*

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
	0.215	-1.611	0.000	1.625
CHELPG
AIM
ESP

<r²>	36.113
(<r²>)^1/2	6.009

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

using model chemistry: B3PW91/3-21G*

States and conformations

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