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	hartrees
Energy at 0K	-205.715783
Energy at 298.15K	-205.718061
HF Energy	-205.715783
Nuclear repulsion energy	69.176051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3586	68.76
2	A'	1769	1702	181.36
3	A'	1281	1233	180.08
4	A'	809	779	142.89
5	A'	600	577	127.52
6	A"	596	574	115.45

Atom	x (Å)	y (Å)
H1	1.755	-0.108
O2	0.887	-0.552
N3	0.000	0.531
O4	-1.106	0.102

	H1	O2	N3	O4
H1		0.9752	1.8671	2.8682
O2	0.9752		1.3998	2.0972
N3	1.8671	1.3998		1.1863
O4	2.8682	2.0972	1.1863

Number	Element	Mulliken
1	H	0.354
2	O	-0.209
3	N	-0.170
4	O	0.026

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

using model chemistry: TPSSh/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
	2.060	0.674	0.000	2.168
CHELPG
AIM
ESP

	x	y	z
x	4.276	-0.561	0.000
y	-0.561	2.547	0.000
z	0.000	0.000	1.785

<r²>	34.751
(<r²>)^1/2	5.895

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

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

States and conformations

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