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	hartrees
Energy at 0K	-354.661692
Energy at 298.15K	-354.665140
HF Energy	-353.971382
Nuclear repulsion energy	176.516354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3496	3369	30.24
2	A	1512	1457	261.99
3	A	1338	1289	78.92
4	A	1206	1162	178.54
5	A	814	784	21.22
6	A	750	723	79.95
7	A	640	617	9.51
8	A	560	540	10.84
9	A	420	405	1.06
10	A	339	327	103.66
11	A	268	258	23.18
12	A	105	101	10.83

Atom	x (Å)	y (Å)	z (Å)
N1	0.660	0.082	0.005
O2	-0.645	-0.846	0.110
O3	-1.828	0.041	-0.180
O4	1.680	-0.621	-0.052
O5	0.474	1.309	0.026
H6	-2.068	0.371	0.723

	N1	O2	O3	O4	O5	H6
N1		1.6057	2.4957	1.2397	1.2407	2.8356
O2	1.6057		1.5066	2.3416	2.4298	1.9696
O3	2.4957	1.5066		3.5720	2.6363	0.9909
O4	1.2397	2.3416	3.5720		2.2767	3.9530
O5	1.2407	2.4298	2.6363	2.2767		2.7975
H6	2.8356	1.9696	0.9909	3.9530	2.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	106.579	O2	N1	O4	110.098
O2	N1	O5	116.643	O2	O3	H6	102.133
O4	N1	O5	133.235

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

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

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