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	hartrees
Energy at 0K	-205.680172
Energy at 298.15K	-205.682353
HF Energy	-205.680172
Nuclear repulsion energy	68.334257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3672	3619	50.34
2	A'	1755	1729	218.66
3	A'	1215	1197	160.00
4	A'	749	738	73.27
5	A'	507	500	165.62
6	A"	575	567	104.10

Atom	x (Å)	y (Å)
H1	1.774	-0.234
O2	0.899	-0.661
N3	0.000	0.536
O4	-1.120	0.221

	H1	O2	N3	O4
H1		0.9739	1.9345	2.9303
O2	0.9739		1.4969	2.2032
N3	1.9345	1.4969		1.1640
O4	2.9303	2.2032	1.1640

Number	Element	Mulliken
1	H	0.266
2	O	-0.279
3	N	0.050
4	O	-0.037

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

using model chemistry: B97D3/TZVP

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
	1.662	0.743	0.000	1.820
CHELPG
AIM
ESP

	x	y	z
x	4.206	-0.748	0.000
y	-0.748	2.416	0.000
z	0.000	0.000	1.510

<r²>	35.574
(<r²>)^1/2	5.964

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

using model chemistry: B97D3/TZVP

States and conformations

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