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	hartrees
Energy at 0K	-280.905884
Energy at 298.15K
HF Energy	-280.905884
Nuclear repulsion energy	127.647563

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'	3815	3815	106.69	41.65	0.19	0.31
2	A'	1806	1806	451.71	2.76	0.74	0.85
3	A'	1401	1401	311.86	14.88	0.20	0.33
4	A'	1359	1359	72.29	3.19	0.75	0.85
5	A'	966	966	174.32	12.42	0.08	0.14
6	A'	699	699	2.54	4.91	0.44	0.61
7	A'	614	614	9.74	1.93	0.62	0.76
8	A"	815	815	10.23	0.04	0.75	0.86
9	A"	509	509	119.56	0.66	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.147
O2	-0.277	-1.209
O3	1.164	0.443
O4	-0.963	0.840
H5	0.599	-1.619

	N1	O2	O3	O4	H5
N1		1.3834	1.2014	1.1863	1.8642
O2	1.3834		2.1916	2.1604	0.9665
O3	1.2014	2.1916		2.1641	2.1374
O4	1.1863	2.1604	2.1641		2.9125
H5	1.8642	0.9665	2.1374	2.9125

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	103.566		O2	N1	O3	115.781
O2	N1	O4	114.220		O3	N1	O4	129.999

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

using model chemistry: wB97X-D/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	1.013
2	O	-0.387
3	O	-0.460
4	O	-0.428
5	H	0.263

	x	y	z	Total
	1.039	-2.179	0.000	2.414
CHELPG
AIM
ESP

	x	y	z
x	4.500	-0.239	0.000
y	-0.239	4.151	0.000
z	0.000	0.000	2.317

<r²>	54.552
(<r²>)^1/2	7.386

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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