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	hartrees
Energy at 0K	-280.874935
Energy at 298.15K
HF Energy	-280.874935
Nuclear repulsion energy	127.498796

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'	3770	3614	76.40	44.57	0.32	0.49
2	A'	1850	1773	406.34	1.55	0.59	0.74
3	A'	1412	1353	328.77	8.51	0.20	0.33
4	A'	1376	1319	59.19	4.70	0.73	0.84
5	A'	954	915	191.76	9.20	0.11	0.20
6	A'	689	661	5.39	6.75	0.48	0.65
7	A'	610	585	10.50	2.98	0.66	0.80
8	A"	807	773	13.31	0.08	0.75	0.86
9	A"	518	497	156.03	2.76	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.151
O2	-0.269	-1.213
O3	1.163	0.452
O4	-0.969	0.833
H5	0.606	-1.624

	N1	O2	O3	O4	H5
N1		1.3899	1.2008	1.1854	1.8756
O2	1.3899		2.1953	2.1624	0.9669
O3	1.2008	2.1953		2.1658	2.1490
O4	1.1854	2.1624	2.1658		2.9188
H5	1.8756	0.9669	2.1490	2.9188

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	104.020		O2	N1	O3	115.664
O2	N1	O4	113.975		O3	N1	O4	130.361

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

using model chemistry: B1B95/6-311G*

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	0.461
2	O	-0.407
3	O	-0.264
4	O	-0.220
5	H	0.430

	x	y	z	Total
	1.208	-2.128	0.000	2.447
CHELPG
AIM
ESP

	x	y	z
x	3.783	-0.349	0.000
y	-0.349	3.303	0.000
z	0.000	0.000	1.232

<r²>	54.556
(<r²>)^1/2	7.386

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

using model chemistry: B1B95/6-311G*

States and conformations

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