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	hartrees
Energy at 0K	-280.914446
Energy at 298.15K
HF Energy	-280.914446
Nuclear repulsion energy	127.659288

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'	3776	3614	99.17	41.64	0.26	0.41
2	A'	1824	1746	421.61	1.87	0.67	0.80
3	A'	1399	1339	296.18	9.90	0.22	0.36
4	A'	1341	1284	78.98	3.66	0.75	0.86
5	A'	950	909	184.65	9.91	0.09	0.17
6	A'	683	654	4.13	5.91	0.47	0.64
7	A'	600	574	10.61	2.34	0.66	0.79
8	A"	813	778	13.65	0.07	0.75	0.86
9	A"	507	486	119.09	1.97	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.149
O2	-0.278	-1.210
O3	1.164	0.438
O4	-0.961	0.842
H5	0.602	-1.610

	N1	O2	O3	O4	H5
N1		1.3876	1.1997	1.1849	1.8596
O2	1.3876		2.1905	2.1626	0.9670
O3	1.1997	2.1905		2.1638	2.1243
O4	1.1849	2.1626	2.1638		2.9081
H5	1.8596	0.9670	2.1243	2.9081

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.875		O2	N1	O3	115.506
O2	N1	O4	114.196		O3	N1	O4	130.298

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

using model chemistry: B1B95/cc-pVTZ

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	0.452
2	O	-0.207
3	O	-0.267
4	O	-0.216
5	H	0.238

	x	y	z	Total
	1.040	-2.095	0.000	2.339
CHELPG
AIM
ESP

	x	y	z
x	4.046	-0.315	0.000
y	-0.315	3.642	0.000
z	0.000	0.000	1.686

<r²>	54.382
(<r²>)^1/2	7.374

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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