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	hartrees
Energy at 0K	-281.016038
Energy at 298.15K
HF Energy	-281.016038
Nuclear repulsion energy	126.485560

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'	3728	3589	93.90	46.39	0.24	0.38
2	A'	1757	1691	408.37	2.06	0.70	0.82
3	A'	1350	1300	317.19	11.02	0.20	0.34
4	A'	1323	1273	47.23	4.96	0.63	0.77
5	A'	905	871	189.22	10.04	0.08	0.15
6	A'	653	628	15.45	7.93	0.43	0.60
7	A'	589	567	7.37	2.80	0.62	0.77
8	A"	786	756	10.40	0.09	0.75	0.86
9	A"	487	469	120.13	1.66	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.155
O2	-0.268	-1.230
O3	1.168	0.460
O4	-0.977	0.837
H5	0.618	-1.626

	N1	O2	O3	O4	H5
N1		1.4108	1.2069	1.1914	1.8850
O2	1.4108		2.2178	2.1852	0.9706
O3	1.2069	2.2178		2.1775	2.1571
O4	1.1914	2.1852	2.1775		2.9342
H5	1.8850	0.9706	2.1571	2.9342

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H5	103.103		O2	N1	O3	115.602
O2	N1	O4	113.965		O3	N1	O4	130.433

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

using model chemistry: B3LYP/Def2TZVPP

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	0.488
2	O	-0.182
3	O	-0.286
4	O	-0.242
5	H	0.222

	x	y	z	Total
	1.089	-2.035	0.000	2.308
CHELPG
AIM
ESP

	x	y	z
x	4.302	-0.285	0.000
y	-0.285	3.942	0.000
z	0.000	0.000	1.887

<r²>	55.430
(<r²>)^1/2	7.445

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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