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	hartrees
Energy at 0K	-280.623870
Energy at 298.15K
HF Energy	-280.623870
Nuclear repulsion energy	127.529261

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'	3783	3621	93.59	40.78	0.26	0.42
2	A'	1857	1777	363.77	1.50	0.67	0.80
3	A'	1423	1362	272.07	9.07	0.16	0.27
4	A'	1359	1301	82.10	3.40	0.72	0.84
5	A'	972	931	156.33	9.78	0.09	0.17
6	A'	695	666	0.73	4.33	0.50	0.67
7	A'	608	582	10.65	1.93	0.65	0.79
8	A"	820	784	12.93	0.03	0.75	0.86
9	A"	528	506	112.07	1.99	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.147
O2	-0.278	-1.208
O3	1.168	0.438
O4	-0.966	0.841
H5	0.607	-1.603

	N1	O2	O3	O4	H5
N1		1.3825	1.2035	1.1895	1.8520
O2	1.3825		2.1904	2.1611	0.9691
O3	1.2035	2.1904		2.1711	2.1167
O4	1.1895	2.1611	2.1711		2.9064
H5	1.8520	0.9691	2.1167	2.9064

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.485		O2	N1	O3	115.607
O2	N1	O4	114.123		O3	N1	O4	130.270

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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	0.872
2	O	-0.424
3	O	-0.420
4	O	-0.368
5	H	0.340

	x	y	z	Total
	1.031	-2.097	0.000	2.337
CHELPG
AIM
ESP

	x	y	z
x	3.807	-0.304	0.000
y	-0.304	3.547	0.000
z	0.000	0.000	1.760

<r²>	54.211
(<r²>)^1/2	7.363

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

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

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