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	hartrees
Energy at 0K	-281.003700
Energy at 298.15K
HF Energy	-281.003700
Nuclear repulsion energy	125.968241

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'	3691	3574	76.08	47.73	0.26	0.41
2	A'	1757	1701	369.15	1.95	0.71	0.83
3	A'	1336	1294	311.57	9.61	0.22	0.37
4	A'	1306	1265	41.84	4.98	0.65	0.78
5	A'	886	858	183.95	9.29	0.09	0.17
6	A'	631	611	18.16	8.30	0.41	0.58
7	A'	568	550	7.94	2.81	0.62	0.77
8	A"	774	749	9.85	0.05	0.75	0.86
9	A"	495	479	114.03	2.35	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.158
O2	-0.268	-1.237
O3	1.172	0.462
O4	-0.982	0.839
H5	0.628	-1.617

	N1	O2	O3	O4	H5
N1		1.4211	1.2107	1.1950	1.8834
O2	1.4211		2.2275	2.1955	0.9735
O3	1.2107	2.2275		2.1870	2.1492
O4	1.1950	2.1955	2.1870		2.9370
H5	1.8834	0.9735	2.1492	2.9370

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	102.097		O2	N1	O3	115.404
O2	N1	O4	113.836		O3	N1	O4	130.759

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

using model chemistry: TPSSh/cc-pVTZ

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	0.461
2	O	-0.216
3	O	-0.264
4	O	-0.216
5	H	0.236

	x	y	z	Total
	1.075	-1.914	0.000	2.196
CHELPG
AIM
ESP

	x	y	z
x	4.155	-0.297	0.000
y	-0.297	3.865	0.000
z	0.000	0.000	1.707

<r²>	55.560
(<r²>)^1/2	7.454

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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