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	hartrees
Energy at 0K	-279.214167
Energy at 298.15K
HF Energy	-279.214167
Nuclear repulsion energy	121.815218

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'	3481	3322	48.54	60.79	0.33	0.50
2	A'	1576	1504	120.17	0.89	0.73	0.84
3	A'	1247	1190	154.37	6.61	0.62	0.76
4	A'	1182	1129	198.19	3.59	0.29	0.45
5	A'	873	834	79.46	11.75	0.12	0.22
6	A'	613	585	0.42	6.83	0.54	0.70
7	A'	508	485	12.84	2.69	0.73	0.84
8	A"	690	659	16.90	0.10	0.75	0.86
9	A"	489	467	156.34	6.19	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.165
O2	-0.305	-1.272
O3	1.226	0.440
O4	-0.999	0.893
H5	0.622	-1.649

	N1	O2	O3	O4	H5
N1		1.4690	1.2561	1.2362	1.9174
O2	1.4690		2.2962	2.2739	0.9999
O3	1.2561	2.2962		2.2702	2.1744
O4	1.2362	2.2739	2.2702		3.0147
H5	1.9174	0.9999	2.1744	3.0147

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	100.171		O2	N1	O3	114.610
O2	N1	O4	114.133		O3	N1	O4	131.258

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

using model chemistry: mPW1PW91/3-21G

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	0.520
2	O	-0.368
3	O	-0.292
4	O	-0.256
5	H	0.396

	x	y	z	Total
	1.282	-1.874	0.000	2.271
CHELPG
AIM
ESP

	x	y	z
x	3.528	-0.428	0.000
y	-0.428	3.211	0.000
z	0.000	0.000	0.658

<r²>	58.383
(<r²>)^1/2	7.641

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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