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	hartrees
Energy at 0K	-280.624333
Energy at 298.15K
HF Energy	-280.624333
Nuclear repulsion energy	127.314379

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'	3744	3600	102.03	44.13	0.30	0.46
2	A'	1865	1793	374.61	1.59	0.63	0.77
3	A'	1427	1372	287.94	7.73	0.21	0.34
4	A'	1344	1292	80.93	3.62	0.74	0.85
5	A'	960	923	178.97	8.83	0.11	0.20
6	A'	691	664	2.71	5.90	0.50	0.67
7	A'	607	584	10.66	2.76	0.67	0.81
8	A"	809	778	16.20	0.09	0.75	0.86
9	A"	517	497	123.47	2.97	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.148
O2	-0.275	-1.211
O3	1.167	0.443
O4	-0.969	0.840
H5	0.614	-1.610

	N1	O2	O3	O4	H5
N1		1.3867	1.2041	1.1903	1.8620
O2	1.3867		2.1950	2.1647	0.9743
O3	1.2041	2.1950		2.1727	2.1265
O4	1.1903	2.1647	2.1727		2.9162
H5	1.8620	0.9743	2.1265	2.9162

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.717		O2	N1	O3	115.640
O2	N1	O4	114.067		O3	N1	O4	130.293

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

using model chemistry: PBE1PBE/cc-pVDZ

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	0.387
2	O	-0.126
3	O	-0.243
4	O	-0.206
5	H	0.188

	x	y	z	Total
	1.076	-2.111	0.000	2.370
CHELPG
AIM
ESP

	x	y	z
x	3.636	-0.356	0.000
y	-0.356	3.224	0.000
z	0.000	0.000	1.157

<r²>	54.474
(<r²>)^1/2	7.381

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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