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	hartrees
Energy at 0K	-280.742273
Energy at 298.15K
HF Energy	-280.742273
Nuclear repulsion energy	125.030007

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'	3620	3591	74.71	54.17	0.19	0.31
2	A'	1720	1706	365.00	3.43	0.75	0.86
3	A'	1304	1293	283.90	15.19	0.17	0.29
4	A'	1267	1257	33.37	4.77	0.74	0.85
5	A'	845	838	178.72	9.95	0.08	0.14
6	A'	601	597	39.71	9.89	0.33	0.50
7	A'	555	551	4.16	2.98	0.48	0.65
8	A"	752	746	5.02	0.01	0.75	0.86
9	A"	486	482	106.27	1.01	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.165
O2	-0.257	-1.254
O3	1.173	0.482
O4	-0.998	0.831
H5	0.650	-1.626

	N1	O2	O3	O4	H5
N1		1.4421	1.2154	1.2000	1.9048
O2	1.4421		2.2494	2.2136	0.9800
O3	1.2154	2.2494		2.1988	2.1716
O4	1.2000	2.2136	2.1988		2.9586
H5	1.9048	0.9800	2.1716	2.9586

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.008		O2	N1	O3	115.393
O2	N1	O4	113.501		O3	N1	O4	131.106

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	0.954
2	O	-0.383
3	O	-0.428
4	O	-0.406
5	H	0.264

	x	y	z	Total
	1.103	-1.773	0.000	2.088
CHELPG
AIM
ESP

	x	y	z
x	4.705	-0.196	0.000
y	-0.196	4.681	0.000
z	0.000	0.000	2.449

<r²>	56.532
(<r²>)^1/2	7.519

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

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