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	hartrees
Energy at 0K	-280.822278
Energy at 298.15K
HF Energy	-280.822278
Nuclear repulsion energy	124.957942

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'	3616	3616	44.20	52.85	0.33	0.49
2	A'	1755	1755	335.47	1.65	0.66	0.80
3	A'	1328	1328	274.34	8.21	0.29	0.45
4	A'	1297	1297	61.59	6.52	0.45	0.62
5	A'	853	853	174.33	7.13	0.12	0.22
6	A'	591	591	49.02	9.44	0.37	0.54
7	A'	563	563	2.32	5.10	0.52	0.69
8	A"	750	750	7.29	0.02	0.75	0.86
9	A"	490	490	142.17	3.59	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.169
O2	-0.245	-1.263
O3	1.167	0.499
O4	-1.004	0.819
H5	0.657	-1.636

	N1	O2	O3	O4	H5
N1		1.4526	1.2124	1.1962	1.9211
O2	1.4526		2.2574	2.2162	0.9759
O3	1.2124	2.2574		2.1942	2.1953
O4	1.1962	2.2162	2.1942		2.9646
H5	1.9211	0.9759	2.1953	2.9646

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.804		O2	N1	O3	115.495
O2	N1	O4	113.229		O3	N1	O4	131.276

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

using model chemistry: B97D3/6-311G*

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	0.420
2	O	-0.404
3	O	-0.230
4	O	-0.193
5	H	0.407

	x	y	z	Total
	1.276	-1.716	0.000	2.138
CHELPG
AIM
ESP

	x	y	z
x	3.925	-0.303	0.000
y	-0.303	3.689	0.000
z	0.000	0.000	1.263

<r²>	56.347
(<r²>)^1/2	7.506

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

using model chemistry: B97D3/6-311G*

States and conformations

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