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	hartrees
Energy at 0K	-280.839220
Energy at 298.15K
HF Energy	-280.839220
Nuclear repulsion energy	127.254797

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'	3746	3590	101.79	43.71	0.30	0.46
2	A'	1858	1781	373.15	1.55	0.63	0.77
3	A'	1422	1362	288.18	7.72	0.21	0.35
4	A'	1344	1288	80.08	3.66	0.74	0.85
5	A'	956	916	178.84	8.84	0.11	0.20
6	A'	688	659	3.08	6.02	0.50	0.66
7	A'	606	580	10.42	2.80	0.67	0.80
8	A"	806	773	16.24	0.09	0.75	0.86
9	A"	514	493	123.72	2.96	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.148
O2	-0.274	-1.212
O3	1.167	0.445
O4	-0.970	0.839
H5	0.614	-1.611

	N1	O2	O3	O4	H5
N1		1.3883	1.2044	1.1905	1.8632
O2	1.3883		2.1966	2.1662	0.9736
O3	1.2044	2.1966		2.1731	2.1286
O4	1.1905	2.1662	2.1731		2.9172
H5	1.8632	0.9736	2.1286	2.9172

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.741		O2	N1	O3	115.647
O2	N1	O4	114.061		O3	N1	O4	130.293

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

using model chemistry: mPW1PW91/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	0.390
2	O	-0.128
3	O	-0.244
4	O	-0.207
5	H	0.189

	x	y	z	Total
	1.078	-2.107	0.000	2.367
CHELPG
AIM
ESP

	x	y	z
x	3.642	-0.355	0.000
y	-0.355	3.226	0.000
z	0.000	0.000	1.156

<r²>	54.500
(<r²>)^1/2	7.382

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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