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	hartrees
Energy at 0K	-280.758674
Energy at 298.15K
HF Energy	-280.758674
Nuclear repulsion energy	124.967477

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'	3616	3572	71.22	51.81	0.24	0.38
2	A'	1721	1700	356.79	2.42	0.73	0.84
3	A'	1303	1288	290.49	11.73	0.19	0.31
4	A'	1263	1248	35.96	4.94	0.73	0.84
5	A'	847	837	182.65	8.87	0.08	0.14
6	A'	599	592	38.08	9.76	0.37	0.54
7	A'	554	547	4.67	3.41	0.55	0.71
8	A"	750	741	6.44	0.05	0.75	0.86
9	A"	479	474	109.29	2.04	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.165
O2	-0.258	-1.256
O3	1.174	0.481
O4	-0.997	0.834
H5	0.650	-1.624

	N1	O2	O3	O4	H5
N1		1.4438	1.2156	1.2004	1.9034
O2	1.4438		2.2509	2.2160	0.9799
O3	1.2156	2.2509		2.1991	2.1694
O4	1.2004	2.2160	2.1991		2.9584
H5	1.9034	0.9799	2.1694	2.9584

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	101.789		O2	N1	O3	115.373
O2	N1	O4	113.556		O3	N1	O4	131.071

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	N	0.402
2	O	-0.174
3	O	-0.243
4	O	-0.205
5	H	0.219

	x	y	z	Total
	1.114	-1.777	0.000	2.097
CHELPG
AIM
ESP

	x	y	z
x	4.412	-0.262	0.000
y	-0.262	4.233	0.000
z	0.000	0.000	1.938

<r²>	56.466
(<r²>)^1/2	7.514

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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