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	hartrees
Energy at 0K	-205.660914
Energy at 298.15K	-205.663282
Nuclear repulsion energy	70.454487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3829	3655	77.70
2	A'	1825	1742	129.09
3	A'	1344	1283	189.01
4	A'	916	874	165.72
5	A'	682	651	65.10
6	A"	615	587	98.02

Atom	x (Å)	y (Å)
H1	1.749	-0.131
O2	0.888	-0.567
N3	0.000	0.510
O4	-1.107	0.137

	H1	O2	N3	O4
H1		0.9649	1.8631	2.8690
O2	0.9649		1.3959	2.1160
N3	1.8631	1.3959		1.1681
O4	2.8690	2.1160	1.1681

Number	Element	Mulliken
1	H	0.328
2	O	-0.381
3	N	0.238
4	O	-0.184

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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
	2.107	0.437	0.000	2.152
CHELPG
AIM
ESP

	x	y	z
x	3.687	-0.399	0.000
y	-0.399	1.983	0.000
z	0.000	0.000	1.470

<r²>	33.349
(<r²>)^1/2	5.775

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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