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	hartrees
Energy at 0K	-280.624176
Energy at 298.15K
HF Energy	-280.624176
Nuclear repulsion energy	124.358651

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'	3552	3501	56.16	53.88	0.30	0.46
2	A'	1764	1739	283.71	1.62	0.69	0.81
3	A'	1327	1308	281.80	8.61	0.17	0.28
4	A'	1288	1269	35.76	5.21	0.74	0.85
5	A'	857	845	166.12	8.40	0.11	0.20
6	A'	604	596	17.52	8.09	0.41	0.58
7	A'	549	541	8.59	2.75	0.64	0.78
8	A"	738	727	8.83	0.02	0.75	0.86
9	A"	500	492	120.37	4.05	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.161
O2	-0.262	-1.255
O3	1.184	0.479
O4	-1.004	0.838
H5	0.655	-1.623

	N1	O2	O3	O4	H5
N1		1.4408	1.2255	1.2109	1.9009
O2	1.4408		2.2574	2.2216	0.9879
O3	1.2255	2.2574		2.2171	2.1669
O4	1.2109	2.2216	2.2171		2.9684
H5	1.9009	0.9879	2.1669	2.9684

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	101.374		O2	N1	O3	115.464
O2	N1	O4	113.531		O3	N1	O4	131.005

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

using model chemistry: PBEPBE/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	0.652
2	O	-0.434
3	O	-0.336
4	O	-0.299
5	H	0.417

	x	y	z	Total
	1.173	-1.818	0.000	2.163
CHELPG
AIM
ESP

	x	y	z
x	3.846	-0.319	0.000
y	-0.319	3.653	0.000
z	0.000	0.000	1.333

<r²>	56.516
(<r²>)^1/2	7.518

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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