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	hartrees
Energy at 0K	-279.037466
Energy at 298.15K
HF Energy	-279.037466
Nuclear repulsion energy	119.239591

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'	3271	3241	19.79	64.40	0.34	0.50
2	A'	1499	1486	94.84	0.84	0.74	0.85
3	A'	1178	1167	161.79	8.82	0.57	0.72
4	A'	1114	1104	142.00	3.25	0.33	0.49
5	A'	807	799	73.01	10.95	0.12	0.22
6	A'	563	558	0.76	7.62	0.49	0.66
7	A'	464	460	11.91	2.54	0.72	0.84
8	A"	643	638	10.38	0.06	0.75	0.86
9	A"	486	482	127.12	8.04	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.178
O2	-0.303	-1.312
O3	1.246	0.458
O4	-1.025	0.904
H5	0.657	-1.652

	N1	O2	O3	O4	H5
N1		1.5206	1.2770	1.2557	1.9443
O2	1.5206		2.3522	2.3302	1.0184
O3	1.2770	2.3522		2.3141	2.1906
O4	1.2557	2.3302	2.3141		3.0592
H5	1.9443	1.0184	2.1906	3.0592

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	97.997		O2	N1	O3	114.163
O2	N1	O4	113.796		O3	N1	O4	132.041

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

using model chemistry: PBEPBEultrafine/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	0.443
2	O	-0.332
3	O	-0.251
4	O	-0.223
5	H	0.362

	x	y	z	Total
	1.245	-1.564	0.000	1.999
CHELPG
AIM
ESP

	x	y	z
x	3.642	-0.417	0.000
y	-0.417	3.541	0.000
z	0.000	0.000	0.683

<r²>	60.296
(<r²>)^1/2	7.765

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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