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	hartrees
Energy at 0K	-355.110543
Energy at 298.15K	-355.114439
HF Energy	-354.181906
Nuclear repulsion energy	185.984860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3490	43.63
2	A	1840	1747	387.04
3	A	1470	1396	75.15
4	A	1397	1327	204.88
5	A	994	944	11.31
6	A	851	808	137.42
7	A	760	722	14.71
8	A	694	659	6.74
9	A	529	503	3.95
10	A	382	363	40.93
11	A	303	288	64.52
12	A	133	126	14.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.589	0.072	-0.000
O2	-0.556	-0.762	0.097
O3	-1.728	-0.031	-0.156
O4	1.594	-0.587	-0.035
O5	0.413	1.263	0.009
H6	-1.904	0.429	0.688

	N1	O2	O3	O4	O5	H6
N1		1.4208	2.3254	1.2018	1.2036	2.6112
O2	1.4208		1.4045	2.1611	2.2471	1.8933
O3	2.3254	1.4045		3.3704	2.5079	0.9775
O4	1.2018	2.1611	3.3704		2.1948	3.7132
O5	1.2036	2.2471	2.5079	2.1948		2.5549
H6	2.6112	1.8933	0.9775	3.7132	2.5549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	110.791	O2	N1	O4	110.705
O2	N1	O5	117.552	O2	O3	H6	103.831
O4	N1	O5	131.693

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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