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	hartrees
Energy at 0K	-280.711601
Energy at 298.15K
HF Energy	-280.711601
Nuclear repulsion energy	127.566355

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'	3778	3630	98.40	41.88	0.26	0.41
2	A'	1829	1758	419.58	1.90	0.68	0.81
3	A'	1403	1349	300.98	9.82	0.22	0.36
4	A'	1347	1294	75.39	3.64	0.75	0.86
5	A'	955	918	183.31	9.88	0.09	0.17
6	A'	688	662	3.97	5.74	0.48	0.65
7	A'	607	583	10.24	2.34	0.66	0.79
8	A"	815	784	13.00	0.07	0.75	0.86
9	A"	511	491	118.97	1.96	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.149
O2	-0.276	-1.211
O3	1.165	0.442
O4	-0.964	0.840
H5	0.605	-1.611

	N1	O2	O3	O4	H5
N1		1.3874	1.2009	1.1862	1.8612
O2	1.3874		2.1926	2.1632	0.9683
O3	1.2009	2.1926		2.1655	2.1277
O4	1.1862	2.1632	2.1655		2.9106
H5	1.8612	0.9683	2.1277	2.9106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.932		O2	N1	O3	115.610
O2	N1	O4	114.159		O3	N1	O4	130.231

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

using model chemistry: PBE1PBE/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	0.459
2	O	-0.202
3	O	-0.270
4	O	-0.220
5	H	0.233

	x	y	z	Total
	1.046	-2.110	0.000	2.355
CHELPG
AIM
ESP

	x	y	z
x	4.044	-0.311	0.000
y	-0.311	3.651	0.000
z	0.000	0.000	1.692

<r²>	54.466
(<r²>)^1/2	7.380

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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