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	hartrees
Energy at 0K	-205.704443
Energy at 298.15K	-205.706773
Nuclear repulsion energy	70.116731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3793	3647	77.53
2	A'	1801	1732	160.99
3	A'	1313	1263	186.57
4	A'	855	822	152.36
5	A'	641	617	110.14
6	A"	604	581	97.71

Atom	x (Å)	y (Å)
H1	1.754	-0.159
O2	0.889	-0.588
N3	0.000	0.514
O4	-1.108	0.158

	H1	O2	N3	O4
H1		0.9663	1.8788	2.8796
O2	0.9663		1.4156	2.1315
N3	1.8788	1.4156		1.1634
O4	2.8796	2.1315	1.1634

Number	Element	Mulliken
1	H	0.178
2	O	-0.181
3	N	0.175
4	O	-0.172

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

using model chemistry: B3PW91/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
	-0.145	-1.524	0.000	1.531
CHELPG
AIM
ESP

<r²>	33.873
(<r²>)^1/2	5.820

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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