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	hartrees
Energy at 0K	-280.942733
Energy at 298.15K
HF Energy	-280.942733
Nuclear repulsion energy	127.615804

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'	3789	3789	100.62	43.09	0.23	0.37
2	A'	1817	1817	438.09	2.16	0.69	0.82
3	A'	1398	1398	305.34	11.60	0.20	0.34
4	A'	1348	1348	74.13	3.74	0.75	0.86
5	A'	951	951	188.87	10.51	0.08	0.15
6	A'	688	688	5.29	6.08	0.48	0.64
7	A'	608	608	10.01	2.34	0.65	0.79
8	A"	813	813	11.69	0.10	0.75	0.86
9	A"	505	505	120.74	1.42	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.149
O2	-0.276	-1.211
O3	1.164	0.443
O4	-0.963	0.840
H5	0.603	-1.614

	N1	O2	O3	O4	H5
N1		1.3875	1.2001	1.1854	1.8632
O2	1.3875		2.1922	2.1629	0.9668
O3	1.2001	2.1922		2.1636	2.1317
O4	1.1854	2.1629	2.1636		2.9111
H5	1.8632	0.9668	2.1317	2.9111

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	103.180		O2	N1	O3	115.631
O2	N1	O4	114.190		O3	N1	O4	130.180

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

using model chemistry: mPW1PW91/Def2TZVPP

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	0.508
2	O	-0.176
3	O	-0.301
4	O	-0.258
5	H	0.226

	x	y	z	Total
	1.055	-2.139	0.000	2.385
CHELPG
AIM
ESP

	x	y	z
x	4.213	-0.293	0.000
y	-0.293	3.793	0.000
z	0.000	0.000	1.863

<r²>	54.508
(<r²>)^1/2	7.383

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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