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	hartrees
Energy at 0K	-280.961291
Energy at 298.15K
HF Energy	-280.961291
Nuclear repulsion energy	126.211184

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'	3709	3584	65.01	48.47	0.33	0.49
2	A'	1785	1725	366.26	1.49	0.61	0.76
3	A'	1369	1323	289.66	7.10	0.30	0.46
4	A'	1343	1298	82.98	6.67	0.41	0.59
5	A'	913	882	185.76	8.79	0.11	0.20
6	A'	656	634	13.35	8.02	0.44	0.61
7	A'	592	572	8.02	3.38	0.64	0.78
8	A"	779	753	11.61	0.06	0.75	0.86
9	A"	504	487	152.11	3.17	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.156
O2	-0.262	-1.233
O3	1.169	0.469
O4	-0.984	0.832
H5	0.622	-1.636

	N1	O2	O3	O4	H5
N1		1.4141	1.2096	1.1934	1.8970
O2	1.4141		2.2237	2.1872	0.9715
O3	1.2096	2.2237		2.1828	2.1747
O4	1.1934	2.1872	2.1828		2.9439
H5	1.8970	0.9715	2.1747	2.9439

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	103.794		O2	N1	O3	115.672
O2	N1	O4	113.769		O3	N1	O4	130.559

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.441
2	O	-0.404
3	O	-0.250
4	O	-0.207
5	H	0.419

	x	y	z	Total
	1.229	-2.022	0.000	2.366
CHELPG
AIM
ESP

	x	y	z
x	3.845	-0.343	0.000
y	-0.343	3.441	0.000
z	0.000	0.000	1.238

<r²>	55.522
(<r²>)^1/2	7.451

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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