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	hartrees
Energy at 0K	-355.365703
Energy at 298.15K	-355.369717
HF Energy	-354.231480
Nuclear repulsion energy	188.729415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3582	52.18
2	A	1856	1748	409.23
3	A	1497	1409	71.59
4	A	1411	1329	196.96
5	A	1033	973	8.66
6	A	883	831	139.52
7	A	806	759	12.45
8	A	728	685	3.38
9	A	563	530	2.95
10	A	391	369	23.14
11	A	303	286	69.30
12	A	144	136	14.91

Atom	x (Å)	y (Å)	z (Å)
N1	0.592	0.078	-0.000
O2	-0.561	-0.778	0.068
O3	-1.709	-0.013	-0.141
O4	1.586	-0.574	-0.021
O5	0.399	1.250	0.004
H6	-1.868	0.375	0.729

	N1	O2	O3	O4	O5	H6
N1		1.4378	2.3067	1.1890	1.1880	2.5831
O2	1.4378		1.3953	2.1590	2.2453	1.8642
O3	2.3067	1.3953		3.3446	2.4615	0.9658
O4	1.1890	2.1590	3.3446		2.1762	3.6600
O5	1.1880	2.2453	2.4615	2.1762		2.5367
H6	2.5831	1.8642	0.9658	3.6600	2.5367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	109.006	O2	N1	O4	110.199
O2	N1	O5	117.223	O2	O3	H6	102.771
O4	N1	O5	132.555

All results from a given calculation for HOONO₂ (peroxy nitric acid)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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All results from a given calculation for HOONO2 (peroxy nitric acid)

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for HOONO₂ (peroxy nitric acid)