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	hartrees
Energy at 0K	-280.629212
Energy at 298.15K
HF Energy	-280.629212
Nuclear repulsion energy	124.412641

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'	3611	3561	59.62	53.76	0.29	0.44
2	A'	1761	1737	285.19	1.67	0.69	0.82
3	A'	1326	1307	271.49	8.47	0.16	0.28
4	A'	1272	1255	46.32	5.24	0.75	0.86
5	A'	858	846	167.12	8.45	0.11	0.20
6	A'	605	597	17.64	8.02	0.41	0.58
7	A'	549	541	8.44	2.83	0.62	0.77
8	A"	738	728	9.05	0.02	0.75	0.86
9	A"	495	488	117.39	4.08	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.161
O2	-0.264	-1.254
O3	1.185	0.475
O4	-1.002	0.841
H5	0.649	-1.621

	N1	O2	O3	O4	H5
N1		1.4395	1.2256	1.2110	1.8960
O2	1.4395		2.2560	2.2215	0.9841
O3	1.2256	2.2560		2.2168	2.1630
O4	1.2110	2.2215	2.2168		2.9642
H5	1.8960	0.9841	2.1630	2.9642

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	101.286		O2	N1	O3	115.430
O2	N1	O4	113.613		O3	N1	O4	130.957

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	0.651
2	O	-0.353
3	O	-0.337
4	O	-0.300
5	H	0.338

	x	y	z	Total
	1.149	-1.828	0.000	2.159
CHELPG
AIM
ESP

	x	y	z
x	3.848	-0.325	0.000
y	-0.325	3.659	0.000
z	0.000	0.000	1.344

<r²>	56.467
(<r²>)^1/2	7.514

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)