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	hartrees
Energy at 0K	-280.742692
Energy at 298.15K
HF Energy	-280.742692
Nuclear repulsion energy	124.876200

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'	3610	3585	67.32	50.23	0.26	0.42
2	A'	1726	1714	337.18	2.07	0.72	0.84
3	A'	1304	1295	288.28	10.02	0.20	0.34
4	A'	1263	1254	35.11	4.88	0.73	0.84
5	A'	850	844	176.21	8.33	0.09	0.16
6	A'	599	595	33.42	9.21	0.37	0.54
7	A'	553	549	5.37	3.26	0.58	0.73
8	A"	751	746	7.60	0.03	0.75	0.86
9	A"	485	482	107.43	2.72	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.165
O2	-0.259	-1.257
O3	1.175	0.481
O4	-0.998	0.834
H5	0.652	-1.621

	N1	O2	O3	O4	H5
N1		1.4457	1.2164	1.2011	1.9015
O2	1.4457		2.2526	2.2180	0.9804
O3	1.2164	2.2526		2.2010	2.1658
O4	1.2011	2.2180	2.2010		2.9578
H5	1.9015	0.9804	2.1658	2.9578

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	101.486		O2	N1	O3	115.329
O2	N1	O4	113.536		O3	N1	O4	131.135

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	N	0.397
2	O	-0.205
3	O	-0.230
4	O	-0.186
5	H	0.225

	x	y	z	Total
	1.101	-1.739	0.000	2.059
CHELPG
AIM
ESP

	x	y	z
x	4.218	-0.285	0.000
y	-0.285	4.054	0.000
z	0.000	0.000	1.739

<r²>	56.406
(<r²>)^1/2	7.510

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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