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	hartrees
Energy at 0K	-280.680247
Energy at 298.15K
HF Energy	-280.426062
Nuclear repulsion energy	125.859509

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'	3712	3557	91.03	47.43	0.30	0.46
2	A'	1791	1717	285.68	2.12	0.71	0.83
3	A'	1350	1294	307.69	7.92	0.22	0.36
4	A'	1330	1274	30.92	5.08	0.66	0.80
5	A'	903	865	172.97	9.42	0.11	0.20
6	A'	653	626	8.46	7.75	0.46	0.63
7	A'	584	559	9.33	3.27	0.68	0.81
8	A"	772	740	13.59	0.09	0.75	0.86
9	A"	501	480	121.53	3.30	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.153
O2	-0.269	-1.231
O3	1.177	0.458
O4	-0.987	0.840
H5	0.629	-1.613

	N1	O2	O3	O4	H5
N1		1.4101	1.2160	1.2023	1.8752
O2	1.4101		2.2237	2.1920	0.9761
O3	1.2160	2.2237		2.1971	2.1430
O4	1.2023	2.1920	2.1971		2.9378
H5	1.8752	0.9761	2.1430	2.9378

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.065		O2	N1	O3	115.535
O2	N1	O4	113.853		O3	N1	O4	130.613

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

using model chemistry: B2PLYP=FULLultrafine/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	0.368
2	O	-0.138
3	O	-0.225
4	O	-0.189
5	H	0.184

	x	y	z	Total
	1.117	-1.933	0.000	2.232
CHELPG
AIM
ESP

	x	y	z
x	3.756	-0.355	0.000
y	-0.355	3.355	-0.000
z	0.000	-0.000	1.152

<r²>	55.529
(<r²>)^1/2	7.452

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

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