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	hartrees
Energy at 0K	-281.007114
Energy at 298.15K
HF Energy	-281.007114
Nuclear repulsion energy	126.340833

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'	3712	3591	93.57	50.97	0.17	0.29
2	A'	1744	1688	414.06	3.01	0.75	0.86
3	A'	1342	1299	304.29	14.80	0.16	0.28
4	A'	1316	1273	49.57	5.60	0.58	0.74
5	A'	897	868	182.98	11.40	0.08	0.15
6	A'	648	627	17.47	7.92	0.35	0.52
7	A'	585	566	6.67	2.33	0.54	0.70
8	A"	783	758	9.32	0.03	0.75	0.86
9	A"	485	470	115.19	0.83	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.156
O2	-0.266	-1.233
O3	1.168	0.464
O4	-0.979	0.836
H5	0.622	-1.627

	N1	O2	O3	O4	H5
N1		1.4137	1.2077	1.1923	1.8880
O2	1.4137		2.2212	2.1879	0.9716
O3	1.2077	2.2212		2.1792	2.1607
O4	1.1923	2.1879	2.1792		2.9374
H5	1.8880	0.9716	2.1607	2.9374

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	103.090		O2	N1	O3	115.626
O2	N1	O4	113.920		O3	N1	O4	130.454

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

using model chemistry: B3LYPultrafine/aug-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	0.988
2	O	-0.283
3	O	-0.461
4	O	-0.452
5	H	0.208

	x	y	z	Total
	1.071	-1.990	0.000	2.260
CHELPG
AIM
ESP

	x	y	z
x	4.692	-0.237	0.000
y	-0.237	4.484	0.000
z	0.000	0.000	2.461

<r²>	55.625
(<r²>)^1/2	7.458

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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