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	hartrees
Energy at 0K	-352.841302
Energy at 298.15K	-352.844706
HF Energy	-352.165209
Nuclear repulsion energy	176.515949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3358	3255	10.88
2	A	1359	1317	39.19
3	A	1321	1280	180.28
4	A	1091	1057	166.26
5	A	937	908	3.84
6	A	762	739	53.57
7	A	621	601	7.68
8	A	584	566	7.35
9	A	440	426	0.14
10	A	316	306	16.13
11	A	222	215	93.55
12	A	103	99	24.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.641	0.081	0.000
O2	-0.621	-0.886	0.129
O3	-1.798	-0.001	-0.183
O4	1.716	-0.566	-0.059
O5	0.376	1.317	0.029
H6	-1.873	0.514	0.676

	N1	O2	O3	O4	O5	H6
N1		1.5952	2.4474	1.2565	1.2644	2.6393
O2	1.5952		1.5065	2.3664	2.4205	1.9569
O3	2.4474	1.5065		3.5620	2.5509	1.0046
O4	1.2565	2.3664	3.5620		2.3132	3.8200
O5	1.2644	2.4205	2.5509	2.3132		2.4743
H6	2.6393	1.9569	1.0046	3.8200	2.4743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	O3	104.159	O2	N1	O4	111.611
O2	N1	O5	115.164	O2	O3	H6	100.476
O4	N1	O5	133.159

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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