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	hartrees
Energy at 0K	-355.500015
Energy at 298.15K	-355.503974
HF Energy	-354.336515
Nuclear repulsion energy	187.597540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3793	3624	52.66
2	A	1801	1721	440.99
3	A	1470	1404	64.83
4	A	1382	1321	214.02
5	A	1029	983	11.79
6	A	862	824	140.95
7	A	784	749	12.60
8	A	709	678	6.03
9	A	537	513	6.64
10	A	380	363	30.06
11	A	299	286	58.35
12	A	138	132	13.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.585	0.071	-0.000
O2	-0.556	-0.757	0.090
O3	-1.717	-0.027	-0.150
O4	1.579	-0.584	-0.032
O5	0.416	1.251	0.007
H6	-1.868	0.436	0.684

	N1	O2	O3	O4	O5	H6
N1		1.4134	2.3094	1.1904	1.1922	2.5730
O2	1.4134		1.3924	2.1456	2.2329	1.8702
O3	2.3094	1.3924		3.3448	2.4913	0.9653
O4	1.1904	2.1456	3.3448		2.1730	3.6652
O5	1.1922	2.2329	2.4913	2.1730		2.5177
H6	2.5730	1.8702	0.9653	3.6652	2.5177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.790	O2	N1	O4	110.691
O2	N1	O5	117.700	O2	O3	H6	103.487
O4	N1	O5	131.570

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

using model chemistry: QCISD/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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All results from a given calculation for HOONO2 (peroxy nitric acid)

using model chemistry: QCISD/cc-pVTZ

States and conformations

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