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	hartrees
Energy at 0K	-352.734865
Energy at 298.15K	-352.738532
HF Energy	-352.177635
Nuclear repulsion energy	180.930668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3568	3358	29.58
2	A	1513	1425	184.61
3	A	1444	1359	101.30
4	A	1176	1107	215.75
5	A	1060	998	2.41
6	A	854	803	96.52
7	A	698	657	12.29
8	A	654	616	10.55
9	A	509	479	0.36
10	A	352	331	16.47
11	A	221	208	108.13
12	A	111	104	29.55

Atom	x (Å)	y (Å)	z (Å)
N1	0.617	0.077	0.003
O2	-0.589	-0.844	0.145
O3	-1.764	-0.021	-0.188
O4	1.670	-0.561	-0.068
O5	0.375	1.291	0.030
H6	-1.863	0.531	0.628

	N1	O2	O3	O4	O5	H6
N1		1.5246	2.3910	1.2333	1.2383	2.5975
O2	1.5246		1.4728	2.2870	2.3457	1.9355
O3	2.3910	1.4728		3.4786	2.5191	0.9907
O4	1.2333	2.2870	3.4786		2.2623	3.7628
O5	1.2383	2.3457	2.5191	2.2623		2.4377
H6	2.5975	1.9355	0.9907	3.7628	2.4377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	105.806	O2	N1	O4	111.611
O2	N1	O5	115.824	O2	O3	H6	101.776
O4	N1	O5	132.497

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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