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	hartrees
Energy at 0K	-205.787160
Energy at 298.15K	-205.789445
HF Energy	-205.787160
Nuclear repulsion energy	69.396220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3617	59.81
2	A'	1767	1711	167.80
3	A'	1286	1245	176.31
4	A'	810	784	124.88
5	A'	592	573	128.67
6	A"	602	583	94.27

Atom	x (Å)	y (Å)
H1	1.741	-0.106
O2	0.881	-0.555
N3	0.000	0.531
O4	-1.098	0.104

	H1	O2	N3	O4
H1		0.9706	1.8542	2.8473
O2	0.9706		1.3983	2.0857
N3	1.8542	1.3983		1.1786
O4	2.8473	2.0857	1.1786

Number	Element	Mulliken
1	H	0.214
2	O	-0.227
3	N	0.119
4	O	-0.106

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

using model chemistry: TPSSh/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
	1.846	0.580	0.000	1.936
CHELPG
AIM
ESP

	x	y	z
x	4.055	-0.556	0.000
y	-0.556	2.227	0.000
z	0.000	0.000	1.470

<r²>	34.431
(<r²>)^1/2	5.868

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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