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	hartrees
Energy at 0K	-279.024242
Energy at 298.15K
HF Energy	-279.024242
Nuclear repulsion energy	121.827799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3464	3337	45.65	60.81	0.33	0.50
2	A'	1577	1520	120.61	0.88	0.73	0.84
3	A'	1247	1201	155.31	6.82	0.61	0.76
4	A'	1182	1139	195.86	3.62	0.28	0.44
5	A'	872	840	81.53	11.57	0.12	0.22
6	A'	613	591	0.34	6.86	0.53	0.69
7	A'	508	489	12.92	2.64	0.73	0.84
8	A"	692	667	17.06	0.10	0.75	0.86
9	A"	492	474	154.12	6.38	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.166
O2	-0.305	-1.272
O3	1.225	0.440
O4	-0.999	0.893
H5	0.623	-1.648

	N1	O2	O3	O4	H5
N1		1.4698	1.2555	1.2356	1.9176
O2	1.4698		2.2959	2.2741	1.0011
O3	1.2555	2.2959		2.2697	2.1725
O4	1.2356	2.2741	2.2697		3.0146
H5	1.9176	1.0011	2.1725	3.0146

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	100.071		O2	N1	O3	114.564
O2	N1	O4	114.120		O3	N1	O4	131.316

All results from a given calculation for HNO₃ (Nitric acid)

using model chemistry: HSEh1PBE/3-21G

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
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Number	Element	Mulliken
1	N	0.520
2	O	-0.366
3	O	-0.291
4	O	-0.256
5	H	0.393

	x	y	z	Total
	1.278	-1.855	0.000	2.253
CHELPG
AIM
ESP

	x	y	z
x	3.524	-0.431	0.000
y	-0.431	3.218	0.000
z	0.000	0.000	0.658

<r²>	58.385
(<r²>)^1/2	7.641

All results from a given calculation for HNO3 (Nitric acid)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for HNO₃ (Nitric acid)