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	hartrees
Energy at 0K	-279.404701
Energy at 298.15K	-279.406955
HF Energy	-278.814104
Nuclear repulsion energy	118.666306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1490	1379	173.30
2	A₁	1011	936	66.15
3	A₁	684	634	4.51
4	B₁	813	752	21.80
5	B₂	1878	1739	493.69
6	B₂	504	466	6.60

Atom	y (Å)	z (Å)
N1	0.000	-0.100
O2	0.000	1.255
O3	1.092	-0.583
O4	-1.092	-0.583

	N1	O2	O3	O4
N1		1.3553	1.1944	1.1944
O2	1.3553		2.1383	2.1383
O3	1.1944	2.1383		2.1848
O4	1.1944	2.1383	2.1848

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	113.852		O2	N1	O4	113.852
O3	N1	O4	132.297

All results from a given calculation for NO₃ (Nitrogen trioxide)

using model chemistry: CISD/6-31G*

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

Conformer 3 (one long, two short)

	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 NO3 (Nitrogen trioxide)

using model chemistry: CISD/6-31G*

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

Conformer 3 (one long, two short)

All results from a given calculation for NO₃ (Nitrogen trioxide)