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	hartrees
Energy at 0K	-279.482785
Energy at 298.15K	-279.484968
HF Energy	-278.811248
Nuclear repulsion energy	117.429293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1439	1362	160.51
2	A₁	958	906	75.73
3	A₁	652	617	1.65
4	B₁	772	730	17.48
5	B₂	1864	1764	455.28
6	B₂	468	443	8.70

Atom	y (Å)	z (Å)
N1	0.000	-0.106
O2	0.000	1.272
O3	1.102	-0.590
O4	-1.102	-0.590

	N1	O2	O3	O4
N1		1.3788	1.2031	1.2031
O2	1.3788		2.1637	2.1637
O3	1.2031	2.1637		2.2035
O4	1.2031	2.1637	2.2035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	113.690		O2	N1	O4	113.690
O3	N1	O4	132.620

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

using model chemistry: CCD/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: CCD/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)