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	hartrees
Energy at 0K	-280.594389
Energy at 298.15K
HF Energy	-280.594389
Nuclear repulsion energy	126.995884

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'	3729	3554	91.93	45.77	0.30	0.46
2	A'	1868	1781	363.19	1.63	0.61	0.76
3	A'	1429	1362	294.21	8.17	0.17	0.30
4	A'	1372	1307	79.27	3.83	0.75	0.85
5	A'	968	922	168.25	9.72	0.11	0.19
6	A'	687	655	0.87	5.31	0.52	0.69
7	A'	603	575	11.34	2.38	0.67	0.80
8	A"	800	763	15.40	0.06	0.75	0.86
9	A"	523	498	136.16	2.87	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.146
O2	-0.277	-1.212
O3	1.172	0.444
O4	-0.972	0.842
H5	0.611	-1.614

	N1	O2	O3	O4	H5
N1		1.3857	1.2093	1.1952	1.8637
O2	1.3857		2.1996	2.1679	0.9751
O3	1.2093	2.1996		2.1809	2.1330
O4	1.1952	2.1679	2.1809		2.9223
H5	1.8637	0.9751	2.1330	2.9223

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.887		O2	N1	O3	115.747
O2	N1	O4	114.071		O3	N1	O4	130.181

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

using model chemistry: PBE1PBE/6-31G**

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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Number	Element	Mulliken
1	N	0.733
2	O	-0.462
3	O	-0.382
4	O	-0.336
5	H	0.447

	x	y	z	Total
	1.139	-2.166	0.000	2.447
CHELPG
AIM
ESP

	x	y	z
x	3.707	-0.336	0.000
y	-0.336	3.309	0.000
z	0.000	0.000	1.311

<r²>	54.693
(<r²>)^1/2	7.396

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

using model chemistry: PBE1PBE/6-31G**

States and conformations

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